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

C16H14N2O — CID 5468782

IUPAC7-methyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one
SMILESCc1cccc(-c2cc(=O)c3ccc(C)nc3[nH]2)c1
InChIInChI=1S/C16H14N2O/c1-10-4-3-5-12(8-10)14-9-15(19)13-7-6-11(2)17-16(13)18-14/h3-9H,1-2H3,(H,17,18,19)
InChIKeyWHANICGPAJMUTA-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.21
Rot. Bonds1

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

7-methyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one (PubChem CID 5468782) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 7-methyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-methyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one
PubChem CID5468782
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name7-methyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one
SMILESCc1cccc(-c2cc(=O)c3ccc(C)nc3[nH]2)c1
InChIInChI=1S/C16H14N2O/c1-10-4-3-5-12(8-10)14-9-15(19)13-7-6-11(2)17-16(13)18-14/h3-9H,1-2H3,(H,17,18,19)
InChIKeyWHANICGPAJMUTA-UHFFFAOYSA-N
XLogP3.21
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-methyl-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 7-methyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-methyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one (CID 5468782) is 7-methyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-methyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-methyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one is Cc1cccc(-c2cc(=O)c3ccc(C)nc3[nH]2)c1.
What is the InChIKey of 7-methyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one?
The InChIKey is WHANICGPAJMUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-10-4-3-5-12(8-10)14-9-15(19)13-7-6-11(2)17-16(13)18-14/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 7-methyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one?
7-methyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one has a molecular weight of 250.30 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 5468782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).