(3S)-1-(4-chloroquinolin-7-yl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one

C25H15ClF6N2O — CID 147747805

IUPAC(3S)-1-(4-chloroquinolin-7-yl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one
SMILESO=C(C[C@@H](c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F)c1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C25H15ClF6N2O/c26-20-9-11-33-21-12-15(5-8-17(20)21)22(35)13-18(14-3-6-16(7-4-14)24(27,28)29)23-19(25(30,31)32)2-1-10-34-23/h1-12,18H,13H2/t18-/m0/s1
InChIKeyHBPQFRYBXOQOEM-SFHVURJKSA-N
MW508.85 g/mol
LogP7.73
Rot. Bonds5

About (3S)-1-(4-chloroquinolin-7-yl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one

(3S)-1-(4-chloroquinolin-7-yl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one (PubChem CID 147747805) has the molecular formula C25H15ClF6N2O and a molecular weight of 508.85 g/mol. Its IUPAC name is (3S)-1-(4-chloroquinolin-7-yl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name(3S)-1-(4-chloroquinolin-7-yl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one
PubChem CID147747805
Molecular FormulaC25H15ClF6N2O
Molecular Weight508.85 g/mol
Exact Mass508.08
IUPAC Name(3S)-1-(4-chloroquinolin-7-yl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one
SMILESO=C(C[C@@H](c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F)c1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C25H15ClF6N2O/c26-20-9-11-33-21-12-15(5-8-17(20)21)22(35)13-18(14-3-6-16(7-4-14)24(27,28)29)23-19(25(30,31)32)2-1-10-34-23/h1-12,18H,13H2/t18-/m0/s1
InChIKeyHBPQFRYBXOQOEM-SFHVURJKSA-N
XLogP7.73
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.85
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(4-chloroquinolin-7-yl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one 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

AV-608
CID 9917079
Pfk-158
CID 71730058
4-Chloro-N-((R)-1-(cis-4-(6-fluoroquinolin-4-yl)cyclohexyl)ethyl)benzamide
CID 121318866
5-(4-Chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamide
CID 57394445
6-Chloro-2-(4-pyridinyl)-4-quinolinecarboxamide
CID 2220933
2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1223053
1-(2,5-Dichlorophenyl)-3-(4-quinolinyl)-2-propen-1-one
CID 10359122
3-Chloro-6,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9,11,13(21),14,16,18-decaen-8-one
CID 10914121
N-[(S)-phenyl-[3-(trifluoromethyl)pyridin-2-yl]methyl]quinoline-7-carboxamide
CID 71144058
N-[(S)-(4-methylphenyl)-[3-(trifluoromethyl)pyridin-2-yl]methyl]quinoline-7-carboxamide
CID 71144526
N-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)pyridin-2-yl]methyl]quinoline-7-carboxamide
CID 71144663
N-[(S)-[3-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)pyridin-2-yl]methyl]quinoline-7-carboxamide
CID 71502460

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chloroquinolin-7-yl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one?
The IUPAC name of (3S)-1-(4-chloroquinolin-7-yl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one (CID 147747805) is (3S)-1-(4-chloroquinolin-7-yl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one.
What is the SMILES notation for (3S)-1-(4-chloroquinolin-7-yl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one?
The canonical SMILES for (3S)-1-(4-chloroquinolin-7-yl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one is O=C(C[C@@H](c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F)c1ccc2c(Cl)ccnc2c1.
What is the InChIKey of (3S)-1-(4-chloroquinolin-7-yl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one?
The InChIKey is HBPQFRYBXOQOEM-SFHVURJKSA-N. The full InChI is InChI=1S/C25H15ClF6N2O/c26-20-9-11-33-21-12-15(5-8-17(20)21)22(35)13-18(14-3-6-16(7-4-14)24(27,28)29)23-19(25(30,31)32)2-1-10-34-23/h1-12,18H,13H2/t18-/m0/s1.
What are the key properties of (3S)-1-(4-chloroquinolin-7-yl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one?
(3S)-1-(4-chloroquinolin-7-yl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one has a molecular weight of 508.85 g/mol, XLogP of 7.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chloroquinolin-7-yl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one is sourced from PubChem (CID 147747805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).