3-(difluoromethyl)-6,8-dimethylquinoline;formic acid

C13H13F2NO2 — CID 156896005

IUPAC3-(difluoromethyl)-6,8-dimethylquinoline;formic acid
SMILESCc1cc(C)c2ncc(C(F)F)cc2c1.O=CO
InChIInChI=1S/C12H11F2N.CH2O2/c1-7-3-8(2)11-9(4-7)5-10(6-15-11)12(13)14;2-1-3/h3-6,12H,1-2H3;1H,(H,2,3)
InChIKeyQUIAQYKGWCEBKB-UHFFFAOYSA-N
MW253.25 g/mol
LogP3.49
Rot. Bonds1

About 3-(difluoromethyl)-6,8-dimethylquinoline;formic acid

3-(difluoromethyl)-6,8-dimethylquinoline;formic acid (PubChem CID 156896005) has the molecular formula C13H13F2NO2 and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-(difluoromethyl)-6,8-dimethylquinoline;formic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-6,8-dimethylquinoline;formic acid
PubChem CID156896005
Molecular FormulaC13H13F2NO2
Molecular Weight253.25 g/mol
Exact Mass253.09
IUPAC Name3-(difluoromethyl)-6,8-dimethylquinoline;formic acid
SMILESCc1cc(C)c2ncc(C(F)F)cc2c1.O=CO
InChIInChI=1S/C12H11F2N.CH2O2/c1-7-3-8(2)11-9(4-7)5-10(6-15-11)12(13)14;2-1-3/h3-6,12H,1-2H3;1H,(H,2,3)
InChIKeyQUIAQYKGWCEBKB-UHFFFAOYSA-N
XLogP3.49
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-(difluoromethyl)-6,8-dimethylquinoline;formic acid 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

6,8-dimethyl-3-propan-2-ylquinoline
CID 82112330
3,6,8-trimethylquinoline
CID 15109946
N,N,6,8-tetramethylquinoline-3-carboxamide
CID 10561334
8-cyclopropyloxy-3,6-dimethylquinoline;formic acid
CID 156896216
3,8-dimethylquinoline-6-carbaldehyde;methanol;methylcyclopropane
CID 156718025
8-cyclopropyloxy-3-(difluoromethyl)-6-propan-2-ylquinoline
CID 156872882
8-bromo-6-methylquinoline-3-carbaldehyde
CID 130067119
8-chloro-3,6-dimethylquinoline;ethane
CID 169233999
4-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 118840590
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 130096508
5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130074499

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6,8-dimethylquinoline;formic acid?
The IUPAC name of 3-(difluoromethyl)-6,8-dimethylquinoline;formic acid (CID 156896005) is 3-(difluoromethyl)-6,8-dimethylquinoline;formic acid.
What is the SMILES notation for 3-(difluoromethyl)-6,8-dimethylquinoline;formic acid?
The canonical SMILES for 3-(difluoromethyl)-6,8-dimethylquinoline;formic acid is Cc1cc(C)c2ncc(C(F)F)cc2c1.O=CO.
What is the InChIKey of 3-(difluoromethyl)-6,8-dimethylquinoline;formic acid?
The InChIKey is QUIAQYKGWCEBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N.CH2O2/c1-7-3-8(2)11-9(4-7)5-10(6-15-11)12(13)14;2-1-3/h3-6,12H,1-2H3;1H,(H,2,3).
What are the key properties of 3-(difluoromethyl)-6,8-dimethylquinoline;formic acid?
3-(difluoromethyl)-6,8-dimethylquinoline;formic acid has a molecular weight of 253.25 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6,8-dimethylquinoline;formic acid is sourced from PubChem (CID 156896005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).