8-fluoro-2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline

C15H16F4N2 — CID 155554274

IUPAC8-fluoro-2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline
SMILESCC1(C)CCc2cc3c(cc2N1)NC(F)C=C3C(F)(F)F
InChIInChI=1S/C15H16F4N2/c1-14(2)4-3-8-5-9-10(15(17,18)19)6-13(16)20-12(9)7-11(8)21-14/h5-7,13,20-21H,3-4H2,1-2H3
InChIKeyCDWFQNUOUXIVBK-UHFFFAOYSA-N
MW300.30 g/mol
LogP4.49
Rot. Bonds

About 8-fluoro-2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline

8-fluoro-2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline (PubChem CID 155554274) has the molecular formula C15H16F4N2 and a molecular weight of 300.30 g/mol. Its IUPAC name is 8-fluoro-2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline.

Molecular Properties

Compound Name8-fluoro-2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline
PubChem CID155554274
Molecular FormulaC15H16F4N2
Molecular Weight300.30 g/mol
Exact Mass300.12
IUPAC Name8-fluoro-2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline
SMILESCC1(C)CCc2cc3c(cc2N1)NC(F)C=C3C(F)(F)F
InChIInChI=1S/C15H16F4N2/c1-14(2)4-3-8-5-9-10(15(17,18)19)6-13(16)20-12(9)7-11(8)21-14/h5-7,13,20-21H,3-4H2,1-2H3
InChIKeyCDWFQNUOUXIVBK-UHFFFAOYSA-N
XLogP4.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 8-fluoro-2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline 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-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
LG-121071
CID 9839132
6-Methyl-7-[(2-methylpropyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279049
6-Ethyl-7-[(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279155
6-Methyl-7-(propylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279277
8-ethyl-4-(trifluoromethyl)-1H,2H,6H,7H,8H,9H-pyrido[3,2-g]quinolin-2-one
CID 23648042
8,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
CID 9948117
6,8,8-trimethyl-4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[3,2-g]quinolin-2(1H)-one
CID 10518992
1-(1-Methyl-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-amine--hydrogen chloride (1/2)
CID 3043615
6-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 12647571
1-(1-Methyl-1,2,3,4-tetrahydroquinolin-6-YL)methanamine
CID 1112172
Cis-(4aR,12bS)-11-Trifluoromethyl-2,3,4,4a,5,6,8,12b-octahydro-1H-6,8-diaza-benzo[a]anthracen-9-one
CID 10358742

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline?
The IUPAC name of 8-fluoro-2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline (CID 155554274) is 8-fluoro-2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline.
What is the SMILES notation for 8-fluoro-2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline?
The canonical SMILES for 8-fluoro-2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline is CC1(C)CCc2cc3c(cc2N1)NC(F)C=C3C(F)(F)F.
What is the InChIKey of 8-fluoro-2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline?
The InChIKey is CDWFQNUOUXIVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N2/c1-14(2)4-3-8-5-9-10(15(17,18)19)6-13(16)20-12(9)7-11(8)21-14/h5-7,13,20-21H,3-4H2,1-2H3.
What are the key properties of 8-fluoro-2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline?
8-fluoro-2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline has a molecular weight of 300.30 g/mol, XLogP of 4.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline is sourced from PubChem (CID 155554274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).