Name: Name:6-HYDROXY-1-ISOPROPYL-4-(4-ISOPROPYLPHENYL)-1H-QUINAZOLIN-2-ONE
Brand: Angene
SKU: AG00DB4F
Rating: 90 (10 reviews)

6-HYDROXY-1-ISOPROPYL-4-(4-ISOPROPYLPHENYL)-1H-QUINAZOLIN-2-ONE

CAS No.:

478963-71-2

Catalog Number:

AG00DB4F

Molecular Formula:

C20H22N2O2

Molecular Weight:

322.4009

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Purity

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Location

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Product Description

Catalog Number:

AG00DB4F

Chemical Name:

6-HYDROXY-1-ISOPROPYL-4-(4-ISOPROPYLPHENYL)-1H-QUINAZOLIN-2-ONE

CAS Number:

478963-71-2

Molecular Formula:

C20H22N2O2

Molecular Weight:

322.4009

MDL Number:

MFCD11878492

IUPAC Name:

6-hydroxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one

InChI:

InChI=1S/C20H22N2O2/c1-12(2)14-5-7-15(8-6-14)19-17-11-16(23)9-10-18(17)22(13(3)4)20(24)21-19/h5-13,23H,1-4H3

InChI Key:

OFKNILXLOVIKRS-UHFFFAOYSA-N

SMILES:

Oc1ccc2c(c1)c(nc(=O)n2C(C)C)c1ccc(cc1)C(C)C

Properties

Complexity:

492

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

322.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

322.408g/mol

Monoisotopic Mass:

322.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4

Literature

Title	Journal
1-Alkyl-4-phenyl-6-alkoxy-1H-quinazolin-2-ones: a novel series of potent calcium-sensing receptor antagonists.	Journal of medicinal chemistry 20100311