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

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Related Compounds

10-(3-chlorophenyl)-6,8,9,10-tetrahydrobenzo(b)(1,8)-naphthyridine-5(7H)-one
CID 184227
N-(3-anilino-3-oxo-1-phenylpropyl)-7-chloro-4-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxamide
CID 44140337
2-(4-Chloro-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one
CID 5468912
2-(3-Chloro-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one
CID 5468914
2-(3-Chloro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one
CID 5468915
N-[(4-chlorophenyl)methyl]-4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxamide
CID 9945283
1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4(1H)-one
CID 15988460
1-(4-fluorobenzyl)-7-methyl-3-(4-methylbenzoyl)[1,8]naphthyridin-4(1H)-one
CID 15988482
1-(2,5-dimethylbenzyl)-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4(1H)-one
CID 15988488
7-Methyl-3-(4-methylbenzoyl)-1-[(3-methylphenyl)methyl]-1,4-dihydro-1,8-naphthyridin-4-one
CID 15988522
7-(4-chlorophenyl)-3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-yl)-1-methylquinolin-4(1H)-one
CID 44414342
7-(2-Chlorophenyl)-6-(4-chlorophenyl)-2-isopropylpyrido[2,3-d]pyrimidin-4-ol
CID 135923581

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).