N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide

C17H16N2O2S — CID 111442055

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide
SMILESCC(O)(CNC(=O)c1ccnc2ccccc12)c1cccs1
InChIInChI=1S/C17H16N2O2S/c1-17(21,15-7-4-10-22-15)11-19-16(20)13-8-9-18-14-6-3-2-5-12(13)14/h2-10,21H,11H2,1H3,(H,19,20)
InChIKeyKEYYEACTXCCXCX-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.93
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide (PubChem CID 111442055) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide
PubChem CID111442055
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide
SMILESCC(O)(CNC(=O)c1ccnc2ccccc12)c1cccs1
InChIInChI=1S/C17H16N2O2S/c1-17(21,15-7-4-10-22-15)11-19-16(20)13-8-9-18-14-6-3-2-5-12(13)14/h2-10,21H,11H2,1H3,(H,19,20)
InChIKeyKEYYEACTXCCXCX-UHFFFAOYSA-N
XLogP2.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylpropyl)isoquinoline-1-carboxamide
CID 111441944
5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-8-carboxamide
CID 111441820
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide
CID 111478851
1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(quinolin-4-ylmethyl)guanidine
CID 109420516
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795
1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 109420515
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide
CID 111442284
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-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide
CID 90499845
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-1,3-benzothiazole-6-carboxamide
CID 99816829

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide (CID 111442055) is N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide is CC(O)(CNC(=O)c1ccnc2ccccc12)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide?
The InChIKey is KEYYEACTXCCXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-17(21,15-7-4-10-22-15)11-19-16(20)13-8-9-18-14-6-3-2-5-12(13)14/h2-10,21H,11H2,1H3,(H,19,20).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 111442055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).