N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C17H18N2O3S — CID 111519785

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(O)(CNC(=O)C1CC(=O)Nc2ccccc21)c1cccs1
InChIInChI=1S/C17H18N2O3S/c1-17(22,14-7-4-8-23-14)10-18-16(21)12-9-15(20)19-13-6-3-2-5-11(12)13/h2-8,12,22H,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyAOZSKCGCWUKKSI-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.20
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 111519785) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID111519785
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(O)(CNC(=O)C1CC(=O)Nc2ccccc21)c1cccs1
InChIInChI=1S/C17H18N2O3S/c1-17(22,14-7-4-8-23-14)10-18-16(21)12-9-15(20)19-13-6-3-2-5-11(12)13/h2-8,12,22H,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyAOZSKCGCWUKKSI-UHFFFAOYSA-N
XLogP2.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46449099
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134026774
N-(2-acetamidoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702913
N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119503581
2-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]butanoic acid
CID 119199156
N-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42884361
N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119384935
(4S)-2-oxo-N-(2-thiophen-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 92815911
(4R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94171644
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 4616929
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 111519785) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CC(O)(CNC(=O)C1CC(=O)Nc2ccccc21)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is AOZSKCGCWUKKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-17(22,14-7-4-8-23-14)10-18-16(21)12-9-15(20)19-13-6-3-2-5-11(12)13/h2-8,12,22H,9-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 111519785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).