Home Carboxys tert-butyl 4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxylate

tert-butyl 4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxylate

CAS No.:
960221-97-0
Catalog Number:
AG00IJQT
Molecular Formula:
C18H25N3O3
Molecular Weight:
331.4094
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Product Description
Catalog Number:
AG00IJQT
Chemical Name:
tert-butyl 4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxylate
CAS Number:
960221-97-0
Molecular Formula:
C18H25N3O3
Molecular Weight:
331.4094
IUPAC Name:
tert-butyl 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C18H25N3O3/c1-18(2,3)24-17(23)20-10-8-14(9-11-20)21-12-13-6-4-5-7-15(13)19-16(21)22/h4-7,14H,8-12H2,1-3H3,(H,19,22)
InChI Key:
ZWLBWQLDKIVVNR-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2CN1C1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
480  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.19g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
331.416g/mol
Monoisotopic Mass:
331.19g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties