2-hydroxy-3-(2-thiophen-3-ylquinolin-4-yl)propanamide

C16H14N2O2S — CID 170576341

IUPAC2-hydroxy-3-(2-thiophen-3-ylquinolin-4-yl)propanamide
SMILESNC(=O)C(O)Cc1cc(-c2ccsc2)nc2ccccc12
InChIInChI=1S/C16H14N2O2S/c17-16(20)15(19)8-11-7-14(10-5-6-21-9-10)18-13-4-2-1-3-12(11)13/h1-7,9,15,19H,8H2,(H2,17,20)
InChIKeyACXUYDKOIQSEKP-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.35
Rot. Bonds4

About 2-hydroxy-3-(2-thiophen-3-ylquinolin-4-yl)propanamide

2-hydroxy-3-(2-thiophen-3-ylquinolin-4-yl)propanamide (PubChem CID 170576341) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-hydroxy-3-(2-thiophen-3-ylquinolin-4-yl)propanamide.

Molecular Properties

Compound Name2-hydroxy-3-(2-thiophen-3-ylquinolin-4-yl)propanamide
PubChem CID170576341
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-hydroxy-3-(2-thiophen-3-ylquinolin-4-yl)propanamide
SMILESNC(=O)C(O)Cc1cc(-c2ccsc2)nc2ccccc12
InChIInChI=1S/C16H14N2O2S/c17-16(20)15(19)8-11-7-14(10-5-6-21-9-10)18-13-4-2-1-3-12(11)13/h1-7,9,15,19H,8H2,(H2,17,20)
InChIKeyACXUYDKOIQSEKP-UHFFFAOYSA-N
XLogP2.35
TPSA76.21 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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-ethoxyphenyl)quinolin-4-yl]-2-hydroxypropanamide
CID 170576328
piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749462
1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 42749505
(4-benzylpiperazin-1-yl)-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 3548276
6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid
CID 80746977
N,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride
CID 21283571
6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide
CID 42749878
6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid
CID 18073660
diaminomethylidene-[(2-phenylquinolin-4-yl)methyl]azanium chloride
CID 135665653
N-[[4-(aminomethyl)phenyl]methyl]-6-bromo-2-thiophen-3-ylquinoline-4-carboxamide
CID 18729972
(2-phenylquinolin-4-yl)methanamine;hydrochloride
CID 82025622
7,8-dichloro-2-thiophen-3-ylquinoline-4-carboxylic acid
CID 63462654

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-thiophen-3-ylquinolin-4-yl)propanamide?
The IUPAC name of 2-hydroxy-3-(2-thiophen-3-ylquinolin-4-yl)propanamide (CID 170576341) is 2-hydroxy-3-(2-thiophen-3-ylquinolin-4-yl)propanamide.
What is the SMILES notation for 2-hydroxy-3-(2-thiophen-3-ylquinolin-4-yl)propanamide?
The canonical SMILES for 2-hydroxy-3-(2-thiophen-3-ylquinolin-4-yl)propanamide is NC(=O)C(O)Cc1cc(-c2ccsc2)nc2ccccc12.
What is the InChIKey of 2-hydroxy-3-(2-thiophen-3-ylquinolin-4-yl)propanamide?
The InChIKey is ACXUYDKOIQSEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c17-16(20)15(19)8-11-7-14(10-5-6-21-9-10)18-13-4-2-1-3-12(11)13/h1-7,9,15,19H,8H2,(H2,17,20).
What are the key properties of 2-hydroxy-3-(2-thiophen-3-ylquinolin-4-yl)propanamide?
2-hydroxy-3-(2-thiophen-3-ylquinolin-4-yl)propanamide has a molecular weight of 298.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-thiophen-3-ylquinolin-4-yl)propanamide is sourced from PubChem (CID 170576341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).