2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline

C17H17ClFN — CID 141315309

IUPAC2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline
SMILESCC1(C)CC(c2ccc(F)c(Cl)c2)Nc2ccccc21
InChIInChI=1S/C17H17ClFN/c1-17(2)10-16(11-7-8-14(19)13(18)9-11)20-15-6-4-3-5-12(15)17/h3-9,16,20H,10H2,1-2H3
InChIKeyZBQMBXQLNHIVCU-UHFFFAOYSA-N
MW289.78 g/mol
LogP5.31
Rot. Bonds1

About 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline

2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline (PubChem CID 141315309) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline
PubChem CID141315309
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC Name2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline
SMILESCC1(C)CC(c2ccc(F)c(Cl)c2)Nc2ccccc21
InChIInChI=1S/C17H17ClFN/c1-17(2)10-16(11-7-8-14(19)13(18)9-11)20-15-6-4-3-5-12(15)17/h3-9,16,20H,10H2,1-2H3
InChIKeyZBQMBXQLNHIVCU-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.78
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-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

2-Chloro-9,10-dihydro-N,N-dimethyl-9-acridinepropanamine
CID 21382
10-Chloro-5,5-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoline
CID 134134314
5-Chloro-1,13-diazatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene
CID 134141640
(3aS,4R,9bR)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 7111440
3-[1-(3-chloro-4-fluorophenyl)-2,2-dioxo-4H-2lambda6,1,3-benzothiadiazin-3-yl]-N-methylpropan-1-amine
CID 25029548
4-Chloro-n-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)aniline
CID 90939
6-Chloro-1,2,3,4-tetrahydroquinoline
CID 11182839
2-Benzyl-1,2,3,4-tetrahydroquinoline
CID 14293586
Elanzepine
CID 208912
3-chloro-N-[2-(2,2,6,6-tetramethyl-4-phenylpiperidin-4-yl)ethyl]aniline
CID 53388813
4-(4-chlorophenyl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 3120366
4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 3136816

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline (CID 141315309) is 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline is CC1(C)CC(c2ccc(F)c(Cl)c2)Nc2ccccc21.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The InChIKey is ZBQMBXQLNHIVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c1-17(2)10-16(11-7-8-14(19)13(18)9-11)20-15-6-4-3-5-12(15)17/h3-9,16,20H,10H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline?
2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline has a molecular weight of 289.78 g/mol, XLogP of 5.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 141315309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).