3-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-chlorophenyl)butan-1-one

C25H22Cl2N2O2 — CID 158326512

IUPAC3-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-chlorophenyl)butan-1-one
SMILESCC(CC(=O)c1ccc(Cl)cc1)c1ccc2c(n1)CCCN2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C25H22Cl2N2O2/c1-16(14-24(30)17-7-9-19(26)10-8-17)21-11-12-23-22(28-21)6-3-13-29(23)25(31)18-4-2-5-20(27)15-18/h2,4-5,7-12,15-16H,3,6,13-14H2,1H3
InChIKeyGPLYENVAXUEISE-UHFFFAOYSA-N
MW453.37 g/mol
LogP6.36
Rot. Bonds5

About 3-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-chlorophenyl)butan-1-one

3-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-chlorophenyl)butan-1-one (PubChem CID 158326512) has the molecular formula C25H22Cl2N2O2 and a molecular weight of 453.37 g/mol. Its IUPAC name is 3-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-chlorophenyl)butan-1-one.

Molecular Properties

Compound Name3-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-chlorophenyl)butan-1-one
PubChem CID158326512
Molecular FormulaC25H22Cl2N2O2
Molecular Weight453.37 g/mol
Exact Mass452.11
IUPAC Name3-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-chlorophenyl)butan-1-one
SMILESCC(CC(=O)c1ccc(Cl)cc1)c1ccc2c(n1)CCCN2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C25H22Cl2N2O2/c1-16(14-24(30)17-7-9-19(26)10-8-17)21-11-12-23-22(28-21)6-3-13-29(23)25(31)18-4-2-5-20(27)15-18/h2,4-5,7-12,15-16H,3,6,13-14H2,1H3
InChIKeyGPLYENVAXUEISE-UHFFFAOYSA-N
XLogP6.36
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.37
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-chlorophenyl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[5-(3,5-dichlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide
CID 142580335
N-[(2R)-butan-2-yl]-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 94086775
2-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-2-methylpropanamide
CID 142580161
4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
CID 142580553
(2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide
CID 142580338
2-methoxyethyl 6-[1-[(4-chlorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 142580150
1-(3-chlorobenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248266
1-[6-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
CID 155738990
1-(3-chlorobenzoyl)-N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248264
3H-benzimidazol-5-yl-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110742341
[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid
CID 155093178
1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248218

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-chlorophenyl)butan-1-one?
The IUPAC name of 3-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-chlorophenyl)butan-1-one (CID 158326512) is 3-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-chlorophenyl)butan-1-one.
What is the SMILES notation for 3-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-chlorophenyl)butan-1-one?
The canonical SMILES for 3-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-chlorophenyl)butan-1-one is CC(CC(=O)c1ccc(Cl)cc1)c1ccc2c(n1)CCCN2C(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-chlorophenyl)butan-1-one?
The InChIKey is GPLYENVAXUEISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N2O2/c1-16(14-24(30)17-7-9-19(26)10-8-17)21-11-12-23-22(28-21)6-3-13-29(23)25(31)18-4-2-5-20(27)15-18/h2,4-5,7-12,15-16H,3,6,13-14H2,1H3.
What are the key properties of 3-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-chlorophenyl)butan-1-one?
3-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-chlorophenyl)butan-1-one has a molecular weight of 453.37 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-chlorophenyl)butan-1-one is sourced from PubChem (CID 158326512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).