N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide

C16H14N2O2S — CID 103686077

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1ccc2ncccc2c1
InChIInChI=1S/C16H14N2O2S/c19-15(13-5-7-21-10-13)9-18-16(20)12-3-4-14-11(8-12)2-1-6-17-14/h1-8,10,15,19H,9H2,(H,18,20)
InChIKeyGPROZCRHTOESJP-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.76
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide

N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide (PubChem CID 103686077) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide
PubChem CID103686077
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1ccc2ncccc2c1
InChIInChI=1S/C16H14N2O2S/c19-15(13-5-7-21-10-13)9-18-16(20)12-3-4-14-11(8-12)2-1-6-17-14/h1-8,10,15,19H,9H2,(H,18,20)
InChIKeyGPROZCRHTOESJP-UHFFFAOYSA-N
XLogP2.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 52992616
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide
CID 107261247
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 103771739
N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide
CID 103726459
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
CID 90496462
N-(3-amino-2-methylpropyl)quinoline-6-carboxamide
CID 55126976
N-(2-chlorobutyl)quinoline-6-carboxamide
CID 113492848
3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 111578613
N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide
CID 113273458

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide (CID 103686077) is N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide is O=C(NCC(O)c1ccsc1)c1ccc2ncccc2c1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide?
The InChIKey is GPROZCRHTOESJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-15(13-5-7-21-10-13)9-18-16(20)12-3-4-14-11(8-12)2-1-6-17-14/h1-8,10,15,19H,9H2,(H,18,20).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.76, 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-3-ylethyl)quinoline-6-carboxamide is sourced from PubChem (CID 103686077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).