2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one

C29H26N4O2 — CID 10226621

IUPAC2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one
SMILESCOc1ccc(CNc2cc(C)c3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C29H26N4O2/c1-20-17-26(30-19-21-13-15-24(35-2)16-14-21)32-29-28(20)25(34)18-27(31-22-9-5-3-6-10-22)33(29)23-11-7-4-8-12-23/h3-18,31H,19H2,1-2H3,(H,30,32)
InChIKeyLOXZDLRBVTYOMH-UHFFFAOYSA-N
MW462.55 g/mol
LogP6.06
Rot. Bonds7

About 2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one

2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one (PubChem CID 10226621) has the molecular formula C29H26N4O2 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one
PubChem CID10226621
Molecular FormulaC29H26N4O2
Molecular Weight462.55 g/mol
Exact Mass462.21
IUPAC Name2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one
SMILESCOc1ccc(CNc2cc(C)c3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C29H26N4O2/c1-20-17-26(30-19-21-13-15-24(35-2)16-14-21)32-29-28(20)25(34)18-27(31-22-9-5-3-6-10-22)33(29)23-11-7-4-8-12-23/h3-18,31H,19H2,1-2H3,(H,30,32)
InChIKeyLOXZDLRBVTYOMH-UHFFFAOYSA-N
XLogP6.06
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen
CID 142224853
7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide
CID 10201627
7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid
CID 20791091
2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N,N-dimethylacetamide
CID 20790460
2-anilino-7-(2-methoxyethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790642
2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one
CID 20790696
7-[(4-methoxyphenyl)methylamino]-1-phenylpyrimido[4,5-d]pyrimidin-2-one
CID 141021252
methyl 2-[[6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112872987
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112872910
2-[(4-methoxyphenyl)methylamino]-8-phenylpyrido[2,3-d]pyrimidin-7-one
CID 69378637
2-anilino-1-phenyl-1,8-naphthyridin-4-one
CID 141067621
6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112874289

Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one (CID 10226621) is 2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one is COc1ccc(CNc2cc(C)c3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one?
The InChIKey is LOXZDLRBVTYOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2/c1-20-17-26(30-19-21-13-15-24(35-2)16-14-21)32-29-28(20)25(34)18-27(31-22-9-5-3-6-10-22)33(29)23-11-7-4-8-12-23/h3-18,31H,19H2,1-2H3,(H,30,32).
What are the key properties of 2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one?
2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one has a molecular weight of 462.55 g/mol, XLogP of 6.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 10226621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).