2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-quinoline-6-carboxamide

C21H23N3O4S — CID 31009334

IUPAC2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)ccc2N1
InChIInChI=1S/C21H23N3O4S/c25-20-10-8-15-13-16(7-9-19(15)23-20)21(26)22-17-5-4-6-18(14-17)29(27,28)24-11-2-1-3-12-24/h4-7,9,13-14H,1-3,8,10-12H2,(H,22,26)(H,23,25)
InChIKeyBUPWJVXTOXYUQF-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.00
Rot. Bonds4

About 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-quinoline-6-carboxamide

2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 31009334) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID31009334
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)ccc2N1
InChIInChI=1S/C21H23N3O4S/c25-20-10-8-15-13-16(7-9-19(15)23-20)21(26)22-17-5-4-6-18(14-17)29(27,28)24-11-2-1-3-12-24/h4-7,9,13-14H,1-3,8,10-12H2,(H,22,26)(H,23,25)
InChIKeyBUPWJVXTOXYUQF-UHFFFAOYSA-N
XLogP3.00
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 166192033
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 29373934
N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzamide
CID 7929786
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-pyrrolidin-1-ylsulfonylbenzoate
CID 18275651
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
CID 4851259
6-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 31239886
N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 28867144
4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 992235
3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1332672

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-quinoline-6-carboxamide (CID 31009334) is 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-quinoline-6-carboxamide is O=C1CCc2cc(C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)ccc2N1.
What is the InChIKey of 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is BUPWJVXTOXYUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c25-20-10-8-15-13-16(7-9-19(15)23-20)21(26)22-17-5-4-6-18(14-17)29(27,28)24-11-2-1-3-12-24/h4-7,9,13-14H,1-3,8,10-12H2,(H,22,26)(H,23,25).
What are the key properties of 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-quinoline-6-carboxamide?
2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 31009334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).