3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2-one

C23H16Cl3N3O2 — CID 11260007

IUPAC3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2-one
SMILESCC(=O)c1c(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n(C)c1=O
InChIInChI=1S/C23H16Cl3N3O2/c1-11(30)19-20(27)17-10-16(12-3-5-13(24)6-4-12)21(28-22(17)29(2)23(19)31)15-8-7-14(25)9-18(15)26/h3-10H,27H2,1-2H3
InChIKeyPCAFDAFQSCZHCE-UHFFFAOYSA-N
MW472.76 g/mol
LogP6.01
Rot. Bonds3

About 3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2-one

3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2-one (PubChem CID 11260007) has the molecular formula C23H16Cl3N3O2 and a molecular weight of 472.76 g/mol. Its IUPAC name is 3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2-one
PubChem CID11260007
Molecular FormulaC23H16Cl3N3O2
Molecular Weight472.76 g/mol
Exact Mass471.03
IUPAC Name3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2-one
SMILESCC(=O)c1c(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n(C)c1=O
InChIInChI=1S/C23H16Cl3N3O2/c1-11(30)19-20(27)17-10-16(12-3-5-13(24)6-4-12)21(28-22(17)29(2)23(19)31)15-8-7-14(25)9-18(15)26/h3-10H,27H2,1-2H3
InChIKeyPCAFDAFQSCZHCE-UHFFFAOYSA-N
XLogP6.01
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.76
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2-one (CID 11260007) is 3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2-one is CC(=O)c1c(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n(C)c1=O.
What is the InChIKey of 3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2-one?
The InChIKey is PCAFDAFQSCZHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3N3O2/c1-11(30)19-20(27)17-10-16(12-3-5-13(24)6-4-12)21(28-22(17)29(2)23(19)31)15-8-7-14(25)9-18(15)26/h3-10H,27H2,1-2H3.
What are the key properties of 3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2-one?
3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2-one has a molecular weight of 472.76 g/mol, XLogP of 6.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 11260007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).