1-[(4-chlorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one

C24H19ClN2O2 — CID 15988462

IUPAC1-[(4-chlorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one
SMILESCc1ccc(C(=O)c2cn(Cc3ccc(Cl)cc3)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C24H19ClN2O2/c1-15-3-8-18(9-4-15)22(28)21-14-27(13-17-6-10-19(25)11-7-17)24-20(23(21)29)12-5-16(2)26-24/h3-12,14H,13H2,1-2H3
InChIKeyMCUAGWSHFJVTJQ-UHFFFAOYSA-N
MW402.88 g/mol
LogP4.95
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one

1-[(4-chlorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one (PubChem CID 15988462) has the molecular formula C24H19ClN2O2 and a molecular weight of 402.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one
PubChem CID15988462
Molecular FormulaC24H19ClN2O2
Molecular Weight402.88 g/mol
Exact Mass402.11
IUPAC Name1-[(4-chlorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one
SMILESCc1ccc(C(=O)c2cn(Cc3ccc(Cl)cc3)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C24H19ClN2O2/c1-15-3-8-18(9-4-15)22(28)21-14-27(13-17-6-10-19(25)11-7-17)24-20(23(21)29)12-5-16(2)26-24/h3-12,14H,13H2,1-2H3
InChIKeyMCUAGWSHFJVTJQ-UHFFFAOYSA-N
XLogP4.95
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chlorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one (CID 15988462) is 1-[(4-chlorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one is Cc1ccc(C(=O)c2cn(Cc3ccc(Cl)cc3)c3nc(C)ccc3c2=O)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one?
The InChIKey is MCUAGWSHFJVTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2/c1-15-3-8-18(9-4-15)22(28)21-14-27(13-17-6-10-19(25)11-7-17)24-20(23(21)29)12-5-16(2)26-24/h3-12,14H,13H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one?
1-[(4-chlorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one has a molecular weight of 402.88 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 15988462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).