2-[2-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione

C17H13F3N2O3 — CID 141247193

IUPAC2-[2-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
SMILESCc1nc2nc(C(F)(F)F)ccc2cc1C(=O)C1C(=O)CCCC1=O
InChIInChI=1S/C17H13F3N2O3/c1-8-10(15(25)14-11(23)3-2-4-12(14)24)7-9-5-6-13(17(18,19)20)22-16(9)21-8/h5-7,14H,2-4H2,1H3
InChIKeyQFRJWMVQAHANKL-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.08
Rot. Bonds2

About 2-[2-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione

2-[2-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione (PubChem CID 141247193) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 2-[2-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione.

Molecular Properties

Compound Name2-[2-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
PubChem CID141247193
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Name2-[2-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
SMILESCc1nc2nc(C(F)(F)F)ccc2cc1C(=O)C1C(=O)CCCC1=O
InChIInChI=1S/C17H13F3N2O3/c1-8-10(15(25)14-11(23)3-2-4-12(14)24)7-9-5-6-13(17(18,19)20)22-16(9)21-8/h5-7,14H,2-4H2,1H3
InChIKeyQFRJWMVQAHANKL-UHFFFAOYSA-N
XLogP3.08
TPSA76.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-methyl-7-(trifluoromethyl)-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

2-[2,7-bis(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
CID 87069136
2-[7-(methoxymethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
CID 141247139
4-methyl-2-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]cyclohept-4-ene-1,3-dione
CID 54138062
2-[2-[ethoxy(difluoro)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
CID 66602414
1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 2782900
N-cyclohexyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31852499
2-[2-methylsulfanyl-4-(trifluoromethyl)-2,3-dihydro-1-benzothiophene-5-carbonyl]cyclohexane-1,3-dione
CID 91156665
2-[4-ethyl-6-fluoro-7-methyl-2-(2,2,2-trifluoroethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
CID 142785973
(3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134005087
2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione
CID 123276386
2-(2-bromo-4-methyl-1,3-benzothiazole-5-carbonyl)cyclohexane-1,3-dione
CID 91362234
2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one
CID 143235788

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione?
The IUPAC name of 2-[2-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione (CID 141247193) is 2-[2-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione.
What is the SMILES notation for 2-[2-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione?
The canonical SMILES for 2-[2-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione is Cc1nc2nc(C(F)(F)F)ccc2cc1C(=O)C1C(=O)CCCC1=O.
What is the InChIKey of 2-[2-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione?
The InChIKey is QFRJWMVQAHANKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c1-8-10(15(25)14-11(23)3-2-4-12(14)24)7-9-5-6-13(17(18,19)20)22-16(9)21-8/h5-7,14H,2-4H2,1H3.
What are the key properties of 2-[2-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione?
2-[2-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione has a molecular weight of 350.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione is sourced from PubChem (CID 141247193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).