2-[2-[3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-cyclopropylsulfanylpropyl]phenyl]propan-2-ol

C32H34ClNOS — CID 143216641

IUPAC2-[2-[3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-cyclopropylsulfanylpropyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1CCC(SC1CC1)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C32H34ClNOS/c1-32(2,35)29-9-4-3-7-23(29)13-19-31(36-28-17-18-28)25-8-5-6-22(20-25)10-15-27-16-12-24-11-14-26(33)21-30(24)34-27/h3-9,11-12,14,16,20-21,28,31,35H,10,13,15,17-19H2,1-2H3
InChIKeyCDIYPRJOYCYQNL-UHFFFAOYSA-N
MW516.15 g/mol
LogP8.47
Rot. Bonds10

About 2-[2-[3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-cyclopropylsulfanylpropyl]phenyl]propan-2-ol

2-[2-[3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-cyclopropylsulfanylpropyl]phenyl]propan-2-ol (PubChem CID 143216641) has the molecular formula C32H34ClNOS and a molecular weight of 516.15 g/mol. Its IUPAC name is 2-[2-[3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-cyclopropylsulfanylpropyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-cyclopropylsulfanylpropyl]phenyl]propan-2-ol
PubChem CID143216641
Molecular FormulaC32H34ClNOS
Molecular Weight516.15 g/mol
Exact Mass515.20
IUPAC Name2-[2-[3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-cyclopropylsulfanylpropyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1CCC(SC1CC1)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C32H34ClNOS/c1-32(2,35)29-9-4-3-7-23(29)13-19-31(36-28-17-18-28)25-8-5-6-22(20-25)10-15-27-16-12-24-11-14-26(33)21-30(24)34-27/h3-9,11-12,14,16,20-21,28,31,35H,10,13,15,17-19H2,1-2H3
InChIKeyCDIYPRJOYCYQNL-UHFFFAOYSA-N
XLogP8.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.15
LogP ≤ 58.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-cyclopropylsulfanylpropyl]phenyl]propan-2-ol 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 2-[2-[3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-cyclopropylsulfanylpropyl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-[3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-cyclopropylsulfanylpropyl]phenyl]propan-2-ol (CID 143216641) is 2-[2-[3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-cyclopropylsulfanylpropyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-cyclopropylsulfanylpropyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-[3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-cyclopropylsulfanylpropyl]phenyl]propan-2-ol is CC(C)(O)c1ccccc1CCC(SC1CC1)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1.
What is the InChIKey of 2-[2-[3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-cyclopropylsulfanylpropyl]phenyl]propan-2-ol?
The InChIKey is CDIYPRJOYCYQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClNOS/c1-32(2,35)29-9-4-3-7-23(29)13-19-31(36-28-17-18-28)25-8-5-6-22(20-25)10-15-27-16-12-24-11-14-26(33)21-30(24)34-27/h3-9,11-12,14,16,20-21,28,31,35H,10,13,15,17-19H2,1-2H3.
What are the key properties of 2-[2-[3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-cyclopropylsulfanylpropyl]phenyl]propan-2-ol?
2-[2-[3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-cyclopropylsulfanylpropyl]phenyl]propan-2-ol has a molecular weight of 516.15 g/mol, XLogP of 8.47, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-cyclopropylsulfanylpropyl]phenyl]propan-2-ol is sourced from PubChem (CID 143216641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).