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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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).