4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol

C22H23ClN2O2 — CID 135988270

IUPAC4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol
SMILESOCC1CCCN(Cc2cc(-c3ccnc4cc(Cl)ccc34)ccc2O)C1
InChIInChI=1S/C22H23ClN2O2/c23-18-4-5-20-19(7-8-24-21(20)11-18)16-3-6-22(27)17(10-16)13-25-9-1-2-15(12-25)14-26/h3-8,10-11,15,26-27H,1-2,9,12-14H2
InChIKeyGFYVHFKUNMCFPV-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.47
Rot. Bonds4

About 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol

4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol (PubChem CID 135988270) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol
PubChem CID135988270
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol
SMILESOCC1CCCN(Cc2cc(-c3ccnc4cc(Cl)ccc34)ccc2O)C1
InChIInChI=1S/C22H23ClN2O2/c23-18-4-5-20-19(7-8-24-21(20)11-18)16-3-6-22(27)17(10-16)13-25-9-1-2-15(12-25)14-26/h3-8,10-11,15,26-27H,1-2,9,12-14H2
InChIKeyGFYVHFKUNMCFPV-UHFFFAOYSA-N
XLogP4.47
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol 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

4-(7-chloroquinolin-4-yl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 135858729
4-(7-chloroquinolin-4-yl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol
CID 135888232
4-(7-chloroquinolin-4-yl)-2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenol
CID 135888231
4-[(7-chloroquinolin-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)phenol;hydron;dichloride
CID 91981319
[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol
CID 62020620
[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol
CID 60670160
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299
N-[2-[[5-(7-chloroquinolin-4-yl)-2-hydroxyphenyl]methylamino]ethyl]acetamide
CID 136967880
7-chloro-4-(cyclohexylmethyl)quinoline
CID 122374976
[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60642415
[1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol
CID 63887461
4-chloro-2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 55167509

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol (CID 135988270) is 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol is OCC1CCCN(Cc2cc(-c3ccnc4cc(Cl)ccc34)ccc2O)C1.
What is the InChIKey of 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol?
The InChIKey is GFYVHFKUNMCFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c23-18-4-5-20-19(7-8-24-21(20)11-18)16-3-6-22(27)17(10-16)13-25-9-1-2-15(12-25)14-26/h3-8,10-11,15,26-27H,1-2,9,12-14H2.
What are the key properties of 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol?
4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol has a molecular weight of 382.89 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 135988270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).