N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C17H18N2O3S — CID 111452040

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC(O)(CNC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccsc1
InChIInChI=1S/C17H18N2O3S/c1-17(22,13-6-7-23-9-13)10-18-16(21)12-2-4-14-11(8-12)3-5-15(20)19-14/h2,4,6-9,22H,3,5,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyVLVPHJZFRHZTNX-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.27
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 111452040) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID111452040
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC(O)(CNC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccsc1
InChIInChI=1S/C17H18N2O3S/c1-17(22,13-6-7-23-9-13)10-18-16(21)12-2-4-14-11(8-12)3-5-15(20)19-14/h2,4,6-9,22H,3,5,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyVLVPHJZFRHZTNX-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
CID 96521380
3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452323
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(methoxymethyl)benzamide
CID 111452317
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452155
N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 115271606
N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 111452101
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide
CID 111451765
4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452036
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111451703
2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710774

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 111452040) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is CC(O)(CNC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is VLVPHJZFRHZTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-17(22,13-6-7-23-9-13)10-18-16(21)12-2-4-14-11(8-12)3-5-15(20)19-14/h2,4,6-9,22H,3,5,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.27, 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-3-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 111452040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).