3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one

C18H18N2O — CID 139602502

IUPAC3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one
SMILESCCCn1c(=O)c(-c2ccccc2C)cc2cccnc21
InChIInChI=1S/C18H18N2O/c1-3-11-20-17-14(8-6-10-19-17)12-16(18(20)21)15-9-5-4-7-13(15)2/h4-10,12H,3,11H2,1-2H3
InChIKeyYVLOQUWPEQGPPI-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.78
Rot. Bonds3

About 3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one

3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one (PubChem CID 139602502) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one
PubChem CID139602502
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one
SMILESCCCn1c(=O)c(-c2ccccc2C)cc2cccnc21
InChIInChI=1S/C18H18N2O/c1-3-11-20-17-14(8-6-10-19-17)12-16(18(20)21)15-9-5-4-7-13(15)2/h4-10,12H,3,11H2,1-2H3
InChIKeyYVLOQUWPEQGPPI-UHFFFAOYSA-N
XLogP3.78
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylphenyl)-1-propyl-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

Related Compounds

1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one
CID 139602401
1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one
CID 139602460
8-ethyl-6-(2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 102178580
1-(cyclopropylmethyl)-3-pyridin-2-yl-1,8-naphthyridin-2-one
CID 14941474
4-phenyl-1-propyl-1,8-naphthyridin-2-one
CID 18969191
N-methyl-N-[methyl-[(1-propylpyrrolo[2,3-b]pyridin-2-yl)methyl]amino]formamide
CID 176950346
ethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate
CID 11034945
3-methyl-4-(3-propylimidazo[4,5-b]pyridin-2-yl)phenol
CID 136750908
N-ethyl-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619463
2-ethyl-3-(2-methylphenyl)naphthalene
CID 148544062
8-(3-methyl-2-pyridinyl)-3-propyl-7H-purine-2,6-dione
CID 115925509
7-phenyl-6-propyl-1,6-naphthyridin-5-one
CID 15720869

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one?
The IUPAC name of 3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one (CID 139602502) is 3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one?
The canonical SMILES for 3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one is CCCn1c(=O)c(-c2ccccc2C)cc2cccnc21.
What is the InChIKey of 3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one?
The InChIKey is YVLOQUWPEQGPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-11-20-17-14(8-6-10-19-17)12-16(18(20)21)15-9-5-4-7-13(15)2/h4-10,12H,3,11H2,1-2H3.
What are the key properties of 3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one?
3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one has a molecular weight of 278.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 139602502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).