5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-8-carboxamide

C17H15ClN2O2S — CID 111441820

IUPAC5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-8-carboxamide
SMILESCC(O)(CNC(=O)c1ccc(Cl)c2cccnc12)c1cccs1
InChIInChI=1S/C17H15ClN2O2S/c1-17(22,14-5-3-9-23-14)10-20-16(21)12-6-7-13(18)11-4-2-8-19-15(11)12/h2-9,22H,10H2,1H3,(H,20,21)
InChIKeyZXZFZUAVISBCMB-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.59
Rot. Bonds4

About 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-8-carboxamide

5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-8-carboxamide (PubChem CID 111441820) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-8-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-8-carboxamide
PubChem CID111441820
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-8-carboxamide
SMILESCC(O)(CNC(=O)c1ccc(Cl)c2cccnc12)c1cccs1
InChIInChI=1S/C17H15ClN2O2S/c1-17(22,14-5-3-9-23-14)10-20-16(21)12-6-7-13(18)11-4-2-8-19-15(11)12/h2-9,22H,10H2,1H3,(H,20,21)
InChIKeyZXZFZUAVISBCMB-UHFFFAOYSA-N
XLogP3.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-8-carboxamide 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

N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide
CID 111442055
N-(2-hydroxy-2-thiophen-2-ylpropyl)isoquinoline-1-carboxamide
CID 111441944
2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide
CID 111442284
4-chloro-2-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 110007380
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
5-fluoro-2-hydroxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111860656
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methylthiophene-2-carboxamide
CID 95983247
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide
CID 90499845
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
CID 95983240

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-8-carboxamide?
The IUPAC name of 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-8-carboxamide (CID 111441820) is 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-8-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-8-carboxamide?
The canonical SMILES for 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-8-carboxamide is CC(O)(CNC(=O)c1ccc(Cl)c2cccnc12)c1cccs1.
What is the InChIKey of 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-8-carboxamide?
The InChIKey is ZXZFZUAVISBCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-17(22,14-5-3-9-23-14)10-20-16(21)12-6-7-13(18)11-4-2-8-19-15(11)12/h2-9,22H,10H2,1H3,(H,20,21).
What are the key properties of 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-8-carboxamide?
5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-8-carboxamide has a molecular weight of 346.84 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-8-carboxamide is sourced from PubChem (CID 111441820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).