[4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-6-yl]phenyl]methanol

C31H33ClN2O2 — CID 24952682

IUPAC[4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-6-yl]phenyl]methanol
SMILESCc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(CO)cc4)cc3c2OCC[C@H]2CCCCN2)c1
InChIInChI=1S/C31H33ClN2O2/c1-20-13-21(2)15-24(14-20)28-18-34-30-17-29(32)26(23-8-6-22(19-35)7-9-23)16-27(30)31(28)36-12-10-25-5-3-4-11-33-25/h6-9,13-18,25,33,35H,3-5,10-12,19H2,1-2H3/t25-/m1/s1
InChIKeyOWRSMOOCLOGSNK-RUZDIDTESA-N
MW501.07 g/mol
LogP7.24
Rot. Bonds7

About [4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-6-yl]phenyl]methanol

[4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-6-yl]phenyl]methanol (PubChem CID 24952682) has the molecular formula C31H33ClN2O2 and a molecular weight of 501.07 g/mol. Its IUPAC name is [4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-6-yl]phenyl]methanol
PubChem CID24952682
Molecular FormulaC31H33ClN2O2
Molecular Weight501.07 g/mol
Exact Mass500.22
IUPAC Name[4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-6-yl]phenyl]methanol
SMILESCc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(CO)cc4)cc3c2OCC[C@H]2CCCCN2)c1
InChIInChI=1S/C31H33ClN2O2/c1-20-13-21(2)15-24(14-20)28-18-34-30-17-29(32)26(23-8-6-22(19-35)7-9-23)16-27(30)31(28)36-12-10-25-5-3-4-11-33-25/h6-9,13-18,25,33,35H,3-5,10-12,19H2,1-2H3/t25-/m1/s1
InChIKeyOWRSMOOCLOGSNK-RUZDIDTESA-N
XLogP7.24
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.07
LogP ≤ 57.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-6-yl]phenyl]methanol 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 [4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-6-yl]phenyl]methanol?
The IUPAC name of [4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-6-yl]phenyl]methanol (CID 24952682) is [4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-6-yl]phenyl]methanol.
What is the SMILES notation for [4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-6-yl]phenyl]methanol?
The canonical SMILES for [4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-6-yl]phenyl]methanol is Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(CO)cc4)cc3c2OCC[C@H]2CCCCN2)c1.
What is the InChIKey of [4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-6-yl]phenyl]methanol?
The InChIKey is OWRSMOOCLOGSNK-RUZDIDTESA-N. The full InChI is InChI=1S/C31H33ClN2O2/c1-20-13-21(2)15-24(14-20)28-18-34-30-17-29(32)26(23-8-6-22(19-35)7-9-23)16-27(30)31(28)36-12-10-25-5-3-4-11-33-25/h6-9,13-18,25,33,35H,3-5,10-12,19H2,1-2H3/t25-/m1/s1.
What are the key properties of [4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-6-yl]phenyl]methanol?
[4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-6-yl]phenyl]methanol has a molecular weight of 501.07 g/mol, XLogP of 7.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-6-yl]phenyl]methanol is sourced from PubChem (CID 24952682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).