(3R)-6-bromo-2-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline

C23H19BrF3NO — CID 172643187

IUPAC(3R)-6-bromo-2-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline
SMILESCOc1ccc(C2Nc3ccc(Br)cc3C[C@]2(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C23H19BrF3NO/c1-29-19-10-7-15(8-11-19)21-22(23(25,26)27,17-5-3-2-4-6-17)14-16-13-18(24)9-12-20(16)28-21/h2-13,21,28H,14H2,1H3/t21?,22-/m1/s1
InChIKeyQDRLKOYVJMZQBL-FOIFJWKZSA-N
MW462.31 g/mol
LogP6.67
Rot. Bonds3

About (3R)-6-bromo-2-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline

(3R)-6-bromo-2-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline (PubChem CID 172643187) has the molecular formula C23H19BrF3NO and a molecular weight of 462.31 g/mol. Its IUPAC name is (3R)-6-bromo-2-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name(3R)-6-bromo-2-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline
PubChem CID172643187
Molecular FormulaC23H19BrF3NO
Molecular Weight462.31 g/mol
Exact Mass461.06
IUPAC Name(3R)-6-bromo-2-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline
SMILESCOc1ccc(C2Nc3ccc(Br)cc3C[C@]2(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C23H19BrF3NO/c1-29-19-10-7-15(8-11-19)21-22(23(25,26)27,17-5-3-2-4-6-17)14-16-13-18(24)9-12-20(16)28-21/h2-13,21,28H,14H2,1H3/t21?,22-/m1/s1
InChIKeyQDRLKOYVJMZQBL-FOIFJWKZSA-N
XLogP6.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.31
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-6-bromo-2-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)-2,4-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

(4R,5S)-4-methoxy-5-(4-methoxyphenyl)-4-phenylpyrrolidin-2-one
CID 15356108
(2S,4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-1H-3,1-benzoxazine
CID 2191513
(2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 102598226
6-chloro-4,4-bis(4-methoxyphenyl)-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]
CID 101235755
(4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one
CID 102284704
6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 164550250
(6S,9R)-6-(5-bromo-2-fluorophenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 27125188
(6S,9S)-6-(3-bromophenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 984335
ethyl 6-bromo-4-(4-methoxyphenyl)-4-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate
CID 101463972
(2S,3S)-2-(4-methoxyphenyl)-3-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroquinoline
CID 132565219
5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 83488810
5-bromo-2-methoxy-2,3-dihydro-1H-indole
CID 160760418

Frequently Asked Questions

What is the IUPAC name of (3R)-6-bromo-2-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline?
The IUPAC name of (3R)-6-bromo-2-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline (CID 172643187) is (3R)-6-bromo-2-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline.
What is the SMILES notation for (3R)-6-bromo-2-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline?
The canonical SMILES for (3R)-6-bromo-2-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline is COc1ccc(C2Nc3ccc(Br)cc3C[C@]2(c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of (3R)-6-bromo-2-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline?
The InChIKey is QDRLKOYVJMZQBL-FOIFJWKZSA-N. The full InChI is InChI=1S/C23H19BrF3NO/c1-29-19-10-7-15(8-11-19)21-22(23(25,26)27,17-5-3-2-4-6-17)14-16-13-18(24)9-12-20(16)28-21/h2-13,21,28H,14H2,1H3/t21?,22-/m1/s1.
What are the key properties of (3R)-6-bromo-2-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline?
(3R)-6-bromo-2-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline has a molecular weight of 462.31 g/mol, XLogP of 6.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-bromo-2-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline is sourced from PubChem (CID 172643187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).