1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol

C26H29ClN2O3S — CID 22471012

IUPAC1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol
SMILESCOc1ccc2ncc(Cl)c(C(O)CCC3(CO)CCN(CC#Cc4cccs4)CC3)c2c1
InChIInChI=1S/C26H29ClN2O3S/c1-32-19-6-7-23-21(16-19)25(22(27)17-28-23)24(31)8-9-26(18-30)10-13-29(14-11-26)12-2-4-20-5-3-15-33-20/h3,5-7,15-17,24,30-31H,8-14,18H2,1H3
InChIKeyIPMJNEBDEWWJTH-UHFFFAOYSA-N
MW485.05 g/mol
LogP4.90
Rot. Bonds7

About 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol

1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol (PubChem CID 22471012) has the molecular formula C26H29ClN2O3S and a molecular weight of 485.05 g/mol. Its IUPAC name is 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol
PubChem CID22471012
Molecular FormulaC26H29ClN2O3S
Molecular Weight485.05 g/mol
Exact Mass484.16
IUPAC Name1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol
SMILESCOc1ccc2ncc(Cl)c(C(O)CCC3(CO)CCN(CC#Cc4cccs4)CC3)c2c1
InChIInChI=1S/C26H29ClN2O3S/c1-32-19-6-7-23-21(16-19)25(22(27)17-28-23)24(31)8-9-26(18-30)10-13-29(14-11-26)12-2-4-20-5-3-15-33-20/h3,5-7,15-17,24,30-31H,8-14,18H2,1H3
InChIKeyIPMJNEBDEWWJTH-UHFFFAOYSA-N
XLogP4.90
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.05
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol 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

(1R)-1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol
CID 20797671
(1R)-1-(3-fluoro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol
CID 20797906
(1R)-1-[3-(aminomethyl)-6-methoxyquinolin-4-yl]-3-[4-(hydroxymethyl)-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol
CID 20797314
(1R)-1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-thiophen-3-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol
CID 20797679
2-[4-[(3R)-3-hydroxy-3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]acetic acid
CID 20798178
3-[1-[3-(3-chloro-5-fluorophenyl)prop-2-ynyl]-4-(hydroxymethyl)piperidin-4-yl]-1-(3-chloro-6-methoxyquinolin-4-yl)propan-1-ol
CID 22470245
[4-[(3R)-3-[3-(dimethylamino)-6-methoxyquinolin-4-yl]-3-fluoropropyl]-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]methanol
CID 20796773
2-[4-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]acetic acid
CID 22468392
1-(3-chloro-6-methoxyquinolin-4-yl)-3-[1-[3-(3,4-difluorophenyl)prop-2-ynyl]-4-(hydroxymethyl)piperidin-4-yl]propan-1-ol
CID 22470591
[4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-fluoropropyl]-1-[3-(3,4,5-trifluorophenyl)prop-2-ynyl]piperidin-4-yl]methanol
CID 22468733
2-[4-[3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]acetic acid
CID 22469023
1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-phenylpropyl)piperidin-4-yl]propan-1-ol
CID 22470824

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol?
The IUPAC name of 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol (CID 22471012) is 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol.
What is the SMILES notation for 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol?
The canonical SMILES for 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol is COc1ccc2ncc(Cl)c(C(O)CCC3(CO)CCN(CC#Cc4cccs4)CC3)c2c1.
What is the InChIKey of 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol?
The InChIKey is IPMJNEBDEWWJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O3S/c1-32-19-6-7-23-21(16-19)25(22(27)17-28-23)24(31)8-9-26(18-30)10-13-29(14-11-26)12-2-4-20-5-3-15-33-20/h3,5-7,15-17,24,30-31H,8-14,18H2,1H3.
What are the key properties of 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol?
1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol has a molecular weight of 485.05 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 22471012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).