2-(3-chlorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one

C16H13ClN2O — CID 5468915

IUPAC2-(3-chlorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(C)c2c(=O)cc(-c3cccc(Cl)c3)[nH]c2n1
InChIInChI=1S/C16H13ClN2O/c1-9-6-10(2)18-16-15(9)14(20)8-13(19-16)11-4-3-5-12(17)7-11/h3-8H,1-2H3,(H,18,19,20)
InChIKeyNOFNRYRLTLGEFI-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.86
Rot. Bonds1

About 2-(3-chlorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one

2-(3-chlorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one (PubChem CID 5468915) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one
PubChem CID5468915
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name2-(3-chlorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(C)c2c(=O)cc(-c3cccc(Cl)c3)[nH]c2n1
InChIInChI=1S/C16H13ClN2O/c1-9-6-10(2)18-16-15(9)14(20)8-13(19-16)11-4-3-5-12(17)7-11/h3-8H,1-2H3,(H,18,19,20)
InChIKeyNOFNRYRLTLGEFI-UHFFFAOYSA-N
XLogP3.86
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one (CID 5468915) is 2-(3-chlorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one is Cc1cc(C)c2c(=O)cc(-c3cccc(Cl)c3)[nH]c2n1.
What is the InChIKey of 2-(3-chlorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one?
The InChIKey is NOFNRYRLTLGEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-9-6-10(2)18-16-15(9)14(20)8-13(19-16)11-4-3-5-12(17)7-11/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of 2-(3-chlorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one?
2-(3-chlorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one has a molecular weight of 284.75 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 5468915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).