3-methyl-1-(3-methylbutyl)-1,8-naphthyridin-2-one

C14H18N2O — CID 3073166

IUPAC3-methyl-1-(3-methylbutyl)-1,8-naphthyridin-2-one
SMILESCc1cc2cccnc2n(CCC(C)C)c1=O
InChIInChI=1S/C14H18N2O/c1-10(2)6-8-16-13-12(5-4-7-15-13)9-11(3)14(16)17/h4-5,7,9-10H,6,8H2,1-3H3
InChIKeyLYEKNWXOMLLNEI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.75
Rot. Bonds3

About 3-methyl-1-(3-methylbutyl)-1,8-naphthyridin-2-one

3-methyl-1-(3-methylbutyl)-1,8-naphthyridin-2-one (PubChem CID 3073166) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-methyl-1-(3-methylbutyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(3-methylbutyl)-1,8-naphthyridin-2-one
PubChem CID3073166
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-methyl-1-(3-methylbutyl)-1,8-naphthyridin-2-one
SMILESCc1cc2cccnc2n(CCC(C)C)c1=O
InChIInChI=1S/C14H18N2O/c1-10(2)6-8-16-13-12(5-4-7-15-13)9-11(3)14(16)17/h4-5,7,9-10H,6,8H2,1-3H3
InChIKeyLYEKNWXOMLLNEI-UHFFFAOYSA-N
XLogP2.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(3-methylbutyl)-1,8-naphthyridin-2-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 3-methyl-1-(3-methylbutyl)-1,8-naphthyridin-2-one?
The IUPAC name of 3-methyl-1-(3-methylbutyl)-1,8-naphthyridin-2-one (CID 3073166) is 3-methyl-1-(3-methylbutyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-methyl-1-(3-methylbutyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 3-methyl-1-(3-methylbutyl)-1,8-naphthyridin-2-one is Cc1cc2cccnc2n(CCC(C)C)c1=O.
What is the InChIKey of 3-methyl-1-(3-methylbutyl)-1,8-naphthyridin-2-one?
The InChIKey is LYEKNWXOMLLNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(2)6-8-16-13-12(5-4-7-15-13)9-11(3)14(16)17/h4-5,7,9-10H,6,8H2,1-3H3.
What are the key properties of 3-methyl-1-(3-methylbutyl)-1,8-naphthyridin-2-one?
3-methyl-1-(3-methylbutyl)-1,8-naphthyridin-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylbutyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 3073166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).