2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione

C16H14N2O4 — CID 123276386

IUPAC2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione
SMILESCn1c(=O)c(C(=O)C2C(=O)CCCC2=O)cc2cccnc21
InChIInChI=1S/C16H14N2O4/c1-18-15-9(4-3-7-17-15)8-10(16(18)22)14(21)13-11(19)5-2-6-12(13)20/h3-4,7-8,13H,2,5-6H2,1H3
InChIKeyJEFSYBZZDDZJIX-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.05
Rot. Bonds2

About 2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione

2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione (PubChem CID 123276386) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione.

Molecular Properties

Compound Name2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione
PubChem CID123276386
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione
SMILESCn1c(=O)c(C(=O)C2C(=O)CCCC2=O)cc2cccnc21
InChIInChI=1S/C16H14N2O4/c1-18-15-9(4-3-7-17-15)8-10(16(18)22)14(21)13-11(19)5-2-6-12(13)20/h3-4,7-8,13H,2,5-6H2,1H3
InChIKeyJEFSYBZZDDZJIX-UHFFFAOYSA-N
XLogP1.05
TPSA86.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione 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-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619418
3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one
CID 7619317
N-ethyl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619354
N,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619271
3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one
CID 7619297
N-ethyl-1-methyl-2-oxo-N-phenyl-1,8-naphthyridine-3-carboxamide
CID 18582865
1-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one
CID 7619470
1-methyl-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]-1,8-naphthyridine-3-carboxamide
CID 7619405
N-(2-chlorophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619491
N-benzhydryl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619434
N-ethyl-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619463
1-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide
CID 7619432

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione?
The IUPAC name of 2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione (CID 123276386) is 2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione.
What is the SMILES notation for 2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione?
The canonical SMILES for 2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione is Cn1c(=O)c(C(=O)C2C(=O)CCCC2=O)cc2cccnc21.
What is the InChIKey of 2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione?
The InChIKey is JEFSYBZZDDZJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-18-15-9(4-3-7-17-15)8-10(16(18)22)14(21)13-11(19)5-2-6-12(13)20/h3-4,7-8,13H,2,5-6H2,1H3.
What are the key properties of 2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione?
2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione has a molecular weight of 298.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione is sourced from PubChem (CID 123276386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).