6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxylic acid

C16H18N2O5S — CID 3422172

IUPAC6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
SMILESCC1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)O)c3c2)C1
InChIInChI=1S/C16H18N2O5S/c1-10-3-2-6-18(9-10)24(22,23)11-4-5-14-12(7-11)13(16(20)21)8-15(19)17-14/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,17,19)(H,20,21)
InChIKeyBSVBVQDAZMOAFE-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.65
Rot. Bonds3

About 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxylic acid

6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxylic acid (PubChem CID 3422172) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
PubChem CID3422172
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
SMILESCC1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)O)c3c2)C1
InChIInChI=1S/C16H18N2O5S/c1-10-3-2-6-18(9-10)24(22,23)11-4-5-14-12(7-11)13(16(20)21)8-15(19)17-14/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,17,19)(H,20,21)
InChIKeyBSVBVQDAZMOAFE-UHFFFAOYSA-N
XLogP1.65
TPSA107.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide
CID 6624382
N-[2-(cyclohexen-1-yl)ethyl]-6-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 42427772
N-[2-(cyclohexen-1-yl)ethyl]-6-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 40782973
N-[(2-methoxyphenyl)methyl]-6-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 92695948
6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 2338315
6-(3-methylpiperidin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 20866159
6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide
CID 15999451
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 118553851
6-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)-2-oxo-1H-quinoline-4-carboxamide
CID 22427069
[5-(azepan-1-ylsulfonyl)-1H-indol-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 11718353

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxylic acid?
The IUPAC name of 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxylic acid (CID 3422172) is 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxylic acid is CC1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)O)c3c2)C1.
What is the InChIKey of 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxylic acid?
The InChIKey is BSVBVQDAZMOAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-10-3-2-6-18(9-10)24(22,23)11-4-5-14-12(7-11)13(16(20)21)8-15(19)17-14/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxylic acid?
6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxylic acid has a molecular weight of 350.40 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 3422172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).