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

C17H16N2O — CID 5468783

IUPAC5,7-dimethyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one
SMILESCc1cccc(-c2cc(=O)c3c(C)cc(C)nc3[nH]2)c1
InChIInChI=1S/C17H16N2O/c1-10-5-4-6-13(7-10)14-9-15(20)16-11(2)8-12(3)18-17(16)19-14/h4-9H,1-3H3,(H,18,19,20)
InChIKeyRXJJJRMOQDHINF-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.52
Rot. Bonds1

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

5,7-dimethyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one (PubChem CID 5468783) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 5,7-dimethyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name5,7-dimethyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one
PubChem CID5468783
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name5,7-dimethyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one
SMILESCc1cccc(-c2cc(=O)c3c(C)cc(C)nc3[nH]2)c1
InChIInChI=1S/C17H16N2O/c1-10-5-4-6-13(7-10)14-9-15(20)16-11(2)8-12(3)18-17(16)19-14/h4-9H,1-3H3,(H,18,19,20)
InChIKeyRXJJJRMOQDHINF-UHFFFAOYSA-N
XLogP3.52
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,7-dimethyl-2-(3-methylphenyl)-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 5,7-dimethyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 5,7-dimethyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one (CID 5468783) is 5,7-dimethyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 5,7-dimethyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 5,7-dimethyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one is Cc1cccc(-c2cc(=O)c3c(C)cc(C)nc3[nH]2)c1.
What is the InChIKey of 5,7-dimethyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one?
The InChIKey is RXJJJRMOQDHINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-10-5-4-6-13(7-10)14-9-15(20)16-11(2)8-12(3)18-17(16)19-14/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of 5,7-dimethyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one?
5,7-dimethyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one has a molecular weight of 264.33 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 5468783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).