[3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-yl]phenyl]methanol

C30H31ClN2O2 — CID 143661146

IUPAC[3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-yl]phenyl]methanol
SMILESCc1cccc(-c2cc3c(OCCC4CCCCN4)c(-c4cccc(CO)c4)cnc3cc2Cl)c1
InChIInChI=1S/C30H31ClN2O2/c1-20-6-4-8-22(14-20)25-16-26-29(17-28(25)31)33-18-27(23-9-5-7-21(15-23)19-34)30(26)35-13-11-24-10-2-3-12-32-24/h4-9,14-18,24,32,34H,2-3,10-13,19H2,1H3
InChIKeyMOODDJZXZWXJHP-UHFFFAOYSA-N
MW487.04 g/mol
LogP6.93
Rot. Bonds7

About [3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-yl]phenyl]methanol

[3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-yl]phenyl]methanol (PubChem CID 143661146) has the molecular formula C30H31ClN2O2 and a molecular weight of 487.04 g/mol. Its IUPAC name is [3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-yl]phenyl]methanol
PubChem CID143661146
Molecular FormulaC30H31ClN2O2
Molecular Weight487.04 g/mol
Exact Mass486.21
IUPAC Name[3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-yl]phenyl]methanol
SMILESCc1cccc(-c2cc3c(OCCC4CCCCN4)c(-c4cccc(CO)c4)cnc3cc2Cl)c1
InChIInChI=1S/C30H31ClN2O2/c1-20-6-4-8-22(14-20)25-16-26-29(17-28(25)31)33-18-27(23-9-5-7-21(15-23)19-34)30(26)35-13-11-24-10-2-3-12-32-24/h4-9,14-18,24,32,34H,2-3,10-13,19H2,1H3
InChIKeyMOODDJZXZWXJHP-UHFFFAOYSA-N
XLogP6.93
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.04
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-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

Related Compounds

7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline
CID 143661136
7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2S)-piperidin-2-yl]ethoxy]-6-pyridin-3-ylquinoline
CID 24953384
N-[3-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]acetamide
CID 24956597
7-chloro-6-(2-chloro-4-pyridinyl)-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinoline
CID 24951955
5-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]pyridin-2-amine
CID 75965988
4-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]benzonitrile
CID 24955522
2-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]aniline
CID 89271599
3-[4-[2-(azetidin-2-yl)ethoxy]-7-chloro-3-(3,5-dimethylphenyl)quinolin-6-yl]benzaldehyde
CID 24955159
3,6-bis(4-fluorophenyl)-4-(2-piperidin-2-ylethoxy)quinoline
CID 74372586
7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]-N-pyrimidin-4-ylquinoline-6-carboxamide
CID 54584354
phenyl-[4-[3-phenyl-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]methanone
CID 24955158
6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline
CID 24955160

Frequently Asked Questions

What is the IUPAC name of [3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-yl]phenyl]methanol?
The IUPAC name of [3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-yl]phenyl]methanol (CID 143661146) is [3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-yl]phenyl]methanol.
What is the SMILES notation for [3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-yl]phenyl]methanol?
The canonical SMILES for [3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-yl]phenyl]methanol is Cc1cccc(-c2cc3c(OCCC4CCCCN4)c(-c4cccc(CO)c4)cnc3cc2Cl)c1.
What is the InChIKey of [3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-yl]phenyl]methanol?
The InChIKey is MOODDJZXZWXJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN2O2/c1-20-6-4-8-22(14-20)25-16-26-29(17-28(25)31)33-18-27(23-9-5-7-21(15-23)19-34)30(26)35-13-11-24-10-2-3-12-32-24/h4-9,14-18,24,32,34H,2-3,10-13,19H2,1H3.
What are the key properties of [3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-yl]phenyl]methanol?
[3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-yl]phenyl]methanol has a molecular weight of 487.04 g/mol, XLogP of 6.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-yl]phenyl]methanol is sourced from PubChem (CID 143661146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).