2-anilino-5-(anilinomethyl)-7-methyl-1-phenyl-1,6-naphthyridin-4-one

C28H24N4O — CID 20790544

IUPAC2-anilino-5-(anilinomethyl)-7-methyl-1-phenyl-1,6-naphthyridin-4-one
SMILESCc1cc2c(c(CNc3ccccc3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C28H24N4O/c1-20-17-25-28(24(30-20)19-29-21-11-5-2-6-12-21)26(33)18-27(31-22-13-7-3-8-14-22)32(25)23-15-9-4-10-16-23/h2-18,29,31H,19H2,1H3
InChIKeyWNCUUOMECICIPW-UHFFFAOYSA-N
MW432.53 g/mol
LogP6.05
Rot. Bonds6

About 2-anilino-5-(anilinomethyl)-7-methyl-1-phenyl-1,6-naphthyridin-4-one

2-anilino-5-(anilinomethyl)-7-methyl-1-phenyl-1,6-naphthyridin-4-one (PubChem CID 20790544) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-anilino-5-(anilinomethyl)-7-methyl-1-phenyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-5-(anilinomethyl)-7-methyl-1-phenyl-1,6-naphthyridin-4-one
PubChem CID20790544
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC Name2-anilino-5-(anilinomethyl)-7-methyl-1-phenyl-1,6-naphthyridin-4-one
SMILESCc1cc2c(c(CNc3ccccc3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C28H24N4O/c1-20-17-25-28(24(30-20)19-29-21-11-5-2-6-12-21)26(33)18-27(31-22-13-7-3-8-14-22)32(25)23-15-9-4-10-16-23/h2-18,29,31H,19H2,1H3
InChIKeyWNCUUOMECICIPW-UHFFFAOYSA-N
XLogP6.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-(anilinomethyl)-7-methyl-1-phenyl-1,6-naphthyridin-4-one?
The IUPAC name of 2-anilino-5-(anilinomethyl)-7-methyl-1-phenyl-1,6-naphthyridin-4-one (CID 20790544) is 2-anilino-5-(anilinomethyl)-7-methyl-1-phenyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-5-(anilinomethyl)-7-methyl-1-phenyl-1,6-naphthyridin-4-one?
The canonical SMILES for 2-anilino-5-(anilinomethyl)-7-methyl-1-phenyl-1,6-naphthyridin-4-one is Cc1cc2c(c(CNc3ccccc3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.
What is the InChIKey of 2-anilino-5-(anilinomethyl)-7-methyl-1-phenyl-1,6-naphthyridin-4-one?
The InChIKey is WNCUUOMECICIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O/c1-20-17-25-28(24(30-20)19-29-21-11-5-2-6-12-21)26(33)18-27(31-22-13-7-3-8-14-22)32(25)23-15-9-4-10-16-23/h2-18,29,31H,19H2,1H3.
What are the key properties of 2-anilino-5-(anilinomethyl)-7-methyl-1-phenyl-1,6-naphthyridin-4-one?
2-anilino-5-(anilinomethyl)-7-methyl-1-phenyl-1,6-naphthyridin-4-one has a molecular weight of 432.53 g/mol, XLogP of 6.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-(anilinomethyl)-7-methyl-1-phenyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 20790544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).