Name: Name:2-[4-[((S)-5,6,7,8-Tetrahydroquinolin-8-yl)amino]butyl]isoindole-1,3-dione
Brand: Angene
SKU: AG00DB28
Rating: 90 (10 reviews)

2-[4-[((S)-5,6,7,8-Tetrahydroquinolin-8-yl)amino]butyl]isoindole-1,3-dione

CAS No.:

558444-72-7

Catalog Number:

AG00DB28

Molecular Formula:

C21H23N3O2

Molecular Weight:

349.4262

Catalog Number:

AG00DB28

Chemical Name:

2-[4-[((S)-5,6,7,8-Tetrahydroquinolin-8-yl)amino]butyl]isoindole-1,3-dione

CAS Number:

558444-72-7

Molecular Formula:

C21H23N3O2

Molecular Weight:

349.4262

MDL Number:

MFCD18910979

IUPAC Name:

2-[4-[[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]butyl]isoindole-1,3-dione

InChI:

InChI=1S/C21H23N3O2/c25-20-16-9-1-2-10-17(16)21(26)24(20)14-4-3-12-22-18-11-5-7-15-8-6-13-23-19(15)18/h1-2,6,8-10,13,18,22H,3-5,7,11-12,14H2/t18-/m0/s1

InChI Key:

RGWFFWNIIJWXKT-SFHVURJKSA-N

SMILES:

O=C1N(CCCCN[C@H]2CCCc3c2nccc3)C(=O)c2c1cccc2

Complexity:

499

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

349.179g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

349.434g/mol

Monoisotopic Mass:

349.179g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4