4-(4-bromophenyl)-6-chloro-8-fluoro-1,2,3,4-tetrahydroquinoline

C15H12BrClFN — CID 90760565

IUPAC4-(4-bromophenyl)-6-chloro-8-fluoro-1,2,3,4-tetrahydroquinoline
SMILESFc1cc(Cl)cc2c1NCCC2c1ccc(Br)cc1
InChIInChI=1S/C15H12BrClFN/c16-10-3-1-9(2-4-10)12-5-6-19-15-13(12)7-11(17)8-14(15)18/h1-4,7-8,12,19H,5-6H2
InChIKeyQTCNVKMRURTPPJ-UHFFFAOYSA-N
MW340.62 g/mol
LogP5.19
Rot. Bonds1

About 4-(4-bromophenyl)-6-chloro-8-fluoro-1,2,3,4-tetrahydroquinoline

4-(4-bromophenyl)-6-chloro-8-fluoro-1,2,3,4-tetrahydroquinoline (PubChem CID 90760565) has the molecular formula C15H12BrClFN and a molecular weight of 340.62 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-chloro-8-fluoro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-chloro-8-fluoro-1,2,3,4-tetrahydroquinoline
PubChem CID90760565
Molecular FormulaC15H12BrClFN
Molecular Weight340.62 g/mol
Exact Mass338.98
IUPAC Name4-(4-bromophenyl)-6-chloro-8-fluoro-1,2,3,4-tetrahydroquinoline
SMILESFc1cc(Cl)cc2c1NCCC2c1ccc(Br)cc1
InChIInChI=1S/C15H12BrClFN/c16-10-3-1-9(2-4-10)12-5-6-19-15-13(12)7-11(17)8-14(15)18/h1-4,7-8,12,19H,5-6H2
InChIKeyQTCNVKMRURTPPJ-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-bromophenyl)-6-chloro-8-fluoro-1,2,3,4-tetrahydroquinoline 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

8-bromo-4,6-dichloro-1,2,3,4-tetrahydroquinoline
CID 131053038
5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one
CID 102058464
[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]azanium chloride
CID 159810414
(3S)-3-(4-bromophenyl)piperidin-2-one
CID 86326200
5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole
CID 4045651
2-[(2R)-azetidin-2-yl]-4-chloro-6-fluoroaniline
CID 130713903
2-(4-chloro-2-fluorophenyl)azetidine
CID 55271192
1-bromo-4-chlorobenzene
CID 7806
(3aS,4S,9bS)-4-(4-bromophenyl)-8-chloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 11898166
(3R)-5-bromo-3-(4-fluorophenyl)-2,3-dihydroinden-1-one
CID 125481529
(4R)-6-bromo-8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
CID 124676937
8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 131050920

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-chloro-8-fluoro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-(4-bromophenyl)-6-chloro-8-fluoro-1,2,3,4-tetrahydroquinoline (CID 90760565) is 4-(4-bromophenyl)-6-chloro-8-fluoro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-(4-bromophenyl)-6-chloro-8-fluoro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-(4-bromophenyl)-6-chloro-8-fluoro-1,2,3,4-tetrahydroquinoline is Fc1cc(Cl)cc2c1NCCC2c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-6-chloro-8-fluoro-1,2,3,4-tetrahydroquinoline?
The InChIKey is QTCNVKMRURTPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFN/c16-10-3-1-9(2-4-10)12-5-6-19-15-13(12)7-11(17)8-14(15)18/h1-4,7-8,12,19H,5-6H2.
What are the key properties of 4-(4-bromophenyl)-6-chloro-8-fluoro-1,2,3,4-tetrahydroquinoline?
4-(4-bromophenyl)-6-chloro-8-fluoro-1,2,3,4-tetrahydroquinoline has a molecular weight of 340.62 g/mol, XLogP of 5.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-chloro-8-fluoro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 90760565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).