[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C24H24ClN3O — CID 20912094

IUPAC[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)N1CCCc2ccccc21
InChIInChI=1S/C24H24ClN3O/c25-19-13-11-18(12-14-19)23-26-22(21-10-2-1-5-15-27(21)23)24(29)28-16-6-8-17-7-3-4-9-20(17)28/h3-4,7,9,11-14H,1-2,5-6,8,10,15-16H2
InChIKeyZAEVSAHHWUBJSH-UHFFFAOYSA-N
MW405.93 g/mol
LogP5.52
Rot. Bonds2

About [3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 20912094) has the molecular formula C24H24ClN3O and a molecular weight of 405.93 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID20912094
Molecular FormulaC24H24ClN3O
Molecular Weight405.93 g/mol
Exact Mass405.16
IUPAC Name[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)N1CCCc2ccccc21
InChIInChI=1S/C24H24ClN3O/c25-19-13-11-18(12-14-19)23-26-22(21-10-2-1-5-15-27(21)23)24(29)28-16-6-8-17-7-3-4-9-20(17)28/h3-4,7,9,11-14H,1-2,5-6,8,10,15-16H2
InChIKeyZAEVSAHHWUBJSH-UHFFFAOYSA-N
XLogP5.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.93
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248071
azocan-1-yl-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl)methanone
CID 55628775
3-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 20912005
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 67839485
[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112848812
[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109309749
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl)methanone
CID 55807787
[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109334352
3,4-dihydro-2H-quinolin-1-yl-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109322335
[6-[(tert-butylamino)methyl]-2-chloro-3-pyridinyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 87799063
[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109360860
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 20912094) is [3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)N1CCCc2ccccc21.
What is the InChIKey of [3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is ZAEVSAHHWUBJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O/c25-19-13-11-18(12-14-19)23-26-22(21-10-2-1-5-15-27(21)23)24(29)28-16-6-8-17-7-3-4-9-20(17)28/h3-4,7,9,11-14H,1-2,5-6,8,10,15-16H2.
What are the key properties of [3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 405.93 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 20912094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).