2-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide

C19H19N3O4S2 — CID 5008714

IUPAC2-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide
SMILESO=C(NCc1cccs1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12
InChIInChI=1S/C19H19N3O4S2/c23-18-11-16(19(24)20-12-13-4-3-9-27-13)15-10-14(5-6-17(15)21-18)28(25,26)22-7-1-2-8-22/h3-6,9-11H,1-2,7-8,12H2,(H,20,24)(H,21,23)
InChIKeyYMEBHTSLWGLBQU-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.30
Rot. Bonds5

About 2-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide

2-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide (PubChem CID 5008714) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide
PubChem CID5008714
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name2-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide
SMILESO=C(NCc1cccs1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12
InChIInChI=1S/C19H19N3O4S2/c23-18-11-16(19(24)20-12-13-4-3-9-27-13)15-10-14(5-6-17(15)21-18)28(25,26)22-7-1-2-8-22/h3-6,9-11H,1-2,7-8,12H2,(H,20,24)(H,21,23)
InChIKeyYMEBHTSLWGLBQU-UHFFFAOYSA-N
XLogP2.30
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-ylsulfonyl)-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 15996678
6-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)-2-oxo-1H-quinoline-4-carboxamide
CID 22427069
6-(azepan-1-ylsulfonyl)-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 22427070
2-[[6-(azepan-1-ylsulfonyl)-2-oxo-1H-quinoline-4-carbonyl]amino]ethyl-benzyl-methylazanium
CID 5086035
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide
CID 20967956
6-(azepan-1-ylsulfonyl)-N-[3-[butyl(ethyl)amino]propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 20967890
N-[3-(N-butylanilino)propyl]-2-oxo-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide
CID 20967939
N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 15994227
6-(azepan-1-ylsulfonyl)-N-[3-(4-benzylpiperidin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 46372035
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 17439492
6-morpholin-4-ylsulfonyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 4651455
N-[(2-methoxyphenyl)methyl]-6-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 92695948

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide (CID 5008714) is 2-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide is O=C(NCc1cccs1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12.
What is the InChIKey of 2-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide?
The InChIKey is YMEBHTSLWGLBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c23-18-11-16(19(24)20-12-13-4-3-9-27-13)15-10-14(5-6-17(15)21-18)28(25,26)22-7-1-2-8-22/h3-6,9-11H,1-2,7-8,12H2,(H,20,24)(H,21,23).
What are the key properties of 2-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide?
2-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide is sourced from PubChem (CID 5008714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).