1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one

C24H20N2O2 — CID 15988460

IUPAC1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one
SMILESCc1ccc(C(=O)c2cn(Cc3ccccc3)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C24H20N2O2/c1-16-8-11-19(12-9-16)22(27)21-15-26(14-18-6-4-3-5-7-18)24-20(23(21)28)13-10-17(2)25-24/h3-13,15H,14H2,1-2H3
InChIKeyRZJJVNVMVFFBMU-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.29
Rot. Bonds4

About 1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one

1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one (PubChem CID 15988460) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one
PubChem CID15988460
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one
SMILESCc1ccc(C(=O)c2cn(Cc3ccccc3)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C24H20N2O2/c1-16-8-11-19(12-9-16)22(27)21-15-26(14-18-6-4-3-5-7-18)24-20(23(21)28)13-10-17(2)25-24/h3-13,15H,14H2,1-2H3
InChIKeyRZJJVNVMVFFBMU-UHFFFAOYSA-N
XLogP4.29
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Amfonelic Acid
CID 2137
Nalidixate Sodium Anhydrous
CID 3864541
7-Dimethylamino-2-phenyl-[1,8]naphthyridin-4-ol
CID 10378184
1-(4''-Acetyl-biphenyl-3-yl)-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid isopropylamide
CID 10113183
1-methyl-4-oxo-N-pyridin-2-yl-1,4-dihydroquinoline-3-carboxamide
CID 5297270
1,8-Naphthyridin-4-ol, 7-methyl-2-propyl-
CID 13155595
3-Acyl-2,6-diaminopyridine deriv. 2n
CID 5330828
N-[4-(4-Hydroxy-7-methyl-[1,8]naphthyridin-2-yl)-phenyl]-acetamide
CID 10085767
[3-Methyl-2-(4-methyl-piperazin-1-yl)-quinolin-4-yl]-phenyl-methanone
CID 11290923
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086899
2-(4-Methylphenyl)-3-(6-methylpyridin-2-yl)quinazolin-4-one
CID 829438
1,3-dimethyl-8-phenyl-8,9-dihydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
CID 4891701

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one?
The IUPAC name of 1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one (CID 15988460) is 1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one is Cc1ccc(C(=O)c2cn(Cc3ccccc3)c3nc(C)ccc3c2=O)cc1.
What is the InChIKey of 1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one?
The InChIKey is RZJJVNVMVFFBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-16-8-11-19(12-9-16)22(27)21-15-26(14-18-6-4-3-5-7-18)24-20(23(21)28)13-10-17(2)25-24/h3-13,15H,14H2,1-2H3.
What are the key properties of 1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one?
1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one has a molecular weight of 368.44 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 15988460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).