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

C17H15BrF3NO — CID 172643185

IUPAC(3R)-6-bromo-3-(4-methoxyphenyl)-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline
SMILESCOc1ccc([C@@]2(C(F)(F)F)CNc3ccc(Br)cc3C2)cc1
InChIInChI=1S/C17H15BrF3NO/c1-23-14-5-2-12(3-6-14)16(17(19,20)21)9-11-8-13(18)4-7-15(11)22-10-16/h2-8,22H,9-10H2,1H3/t16-/m0/s1
InChIKeyCJPXNILGSAMCEM-INIZCTEOSA-N
MW386.21 g/mol
LogP4.93
Rot. Bonds2

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

(3R)-6-bromo-3-(4-methoxyphenyl)-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline (PubChem CID 172643185) has the molecular formula C17H15BrF3NO and a molecular weight of 386.21 g/mol. Its IUPAC name is (3R)-6-bromo-3-(4-methoxyphenyl)-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name(3R)-6-bromo-3-(4-methoxyphenyl)-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline
PubChem CID172643185
Molecular FormulaC17H15BrF3NO
Molecular Weight386.21 g/mol
Exact Mass385.03
IUPAC Name(3R)-6-bromo-3-(4-methoxyphenyl)-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline
SMILESCOc1ccc([C@@]2(C(F)(F)F)CNc3ccc(Br)cc3C2)cc1
InChIInChI=1S/C17H15BrF3NO/c1-23-14-5-2-12(3-6-14)16(17(19,20)21)9-11-8-13(18)4-7-15(11)22-10-16/h2-8,22H,9-10H2,1H3/t16-/m0/s1
InChIKeyCJPXNILGSAMCEM-INIZCTEOSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-6-bromo-3-(4-methoxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of (3R)-6-bromo-3-(4-methoxyphenyl)-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline?
The IUPAC name of (3R)-6-bromo-3-(4-methoxyphenyl)-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline (CID 172643185) is (3R)-6-bromo-3-(4-methoxyphenyl)-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline.
What is the SMILES notation for (3R)-6-bromo-3-(4-methoxyphenyl)-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline?
The canonical SMILES for (3R)-6-bromo-3-(4-methoxyphenyl)-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline is COc1ccc([C@@]2(C(F)(F)F)CNc3ccc(Br)cc3C2)cc1.
What is the InChIKey of (3R)-6-bromo-3-(4-methoxyphenyl)-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline?
The InChIKey is CJPXNILGSAMCEM-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15BrF3NO/c1-23-14-5-2-12(3-6-14)16(17(19,20)21)9-11-8-13(18)4-7-15(11)22-10-16/h2-8,22H,9-10H2,1H3/t16-/m0/s1.
What are the key properties of (3R)-6-bromo-3-(4-methoxyphenyl)-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline?
(3R)-6-bromo-3-(4-methoxyphenyl)-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline has a molecular weight of 386.21 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-bromo-3-(4-methoxyphenyl)-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline is sourced from PubChem (CID 172643185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).