2-anilino-7-methyl-3-(N-methylanilino)-1-phenyl-1,8-naphthyridin-4-one

C28H24N4O — CID 20790810

IUPAC2-anilino-7-methyl-3-(N-methylanilino)-1-phenyl-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)c(N(C)c3ccccc3)c(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C28H24N4O/c1-20-18-19-24-26(33)25(31(2)22-14-8-4-9-15-22)28(30-21-12-6-3-7-13-21)32(27(24)29-20)23-16-10-5-11-17-23/h3-19,30H,1-2H3
InChIKeyTYSDSQHQNWFBIL-UHFFFAOYSA-N
MW432.53 g/mol
LogP6.21
Rot. Bonds5

About 2-anilino-7-methyl-3-(N-methylanilino)-1-phenyl-1,8-naphthyridin-4-one

2-anilino-7-methyl-3-(N-methylanilino)-1-phenyl-1,8-naphthyridin-4-one (PubChem CID 20790810) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-anilino-7-methyl-3-(N-methylanilino)-1-phenyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-methyl-3-(N-methylanilino)-1-phenyl-1,8-naphthyridin-4-one
PubChem CID20790810
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC Name2-anilino-7-methyl-3-(N-methylanilino)-1-phenyl-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)c(N(C)c3ccccc3)c(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C28H24N4O/c1-20-18-19-24-26(33)25(31(2)22-14-8-4-9-15-22)28(30-21-12-6-3-7-13-21)32(27(24)29-20)23-16-10-5-11-17-23/h3-19,30H,1-2H3
InChIKeyTYSDSQHQNWFBIL-UHFFFAOYSA-N
XLogP6.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-2-(4-chloroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one
CID 20791000
7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one
CID 1490401
methyl 3-[[6-(dimethylcarbamoyl)-3-pyridinyl]methyl]-7-methyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate
CID 25119787
4-N-methyl-6-N-(2-methylquinolin-5-yl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22527055
N-[(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl]-N-phenylacetamide
CID 20791204
7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid
CID 20791091
methyl 3-(2-anilino-2-oxoethyl)-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250645
2,7-dimethyl-1-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 13397837
2-anilino-6-[cyclohexa-2,4-dien-1-yl(methyl)amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one
CID 142225773
2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-methyl-N-phenylacetamide
CID 50792885
N-methyl-N-phenylanthracen-9-amine
CID 22944738
N-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methanesulfonamide
CID 67564353

Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-methyl-3-(N-methylanilino)-1-phenyl-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-methyl-3-(N-methylanilino)-1-phenyl-1,8-naphthyridin-4-one (CID 20790810) is 2-anilino-7-methyl-3-(N-methylanilino)-1-phenyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-methyl-3-(N-methylanilino)-1-phenyl-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-methyl-3-(N-methylanilino)-1-phenyl-1,8-naphthyridin-4-one is Cc1ccc2c(=O)c(N(C)c3ccccc3)c(Nc3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-anilino-7-methyl-3-(N-methylanilino)-1-phenyl-1,8-naphthyridin-4-one?
The InChIKey is TYSDSQHQNWFBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O/c1-20-18-19-24-26(33)25(31(2)22-14-8-4-9-15-22)28(30-21-12-6-3-7-13-21)32(27(24)29-20)23-16-10-5-11-17-23/h3-19,30H,1-2H3.
What are the key properties of 2-anilino-7-methyl-3-(N-methylanilino)-1-phenyl-1,8-naphthyridin-4-one?
2-anilino-7-methyl-3-(N-methylanilino)-1-phenyl-1,8-naphthyridin-4-one has a molecular weight of 432.53 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-methyl-3-(N-methylanilino)-1-phenyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 20790810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).