7,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C16H18N4O5S — CID 167908104

IUPAC7,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCc1[nH]ncc1S(=O)(=O)NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O
InChIInChI=1S/C16H18N4O5S/c1-8-13(7-17-19-8)26(24,25)20-15(23)10-4-9-11(18-14(10)22)5-16(2,3)6-12(9)21/h4,7H,5-6H2,1-3H3,(H,17,19)(H,18,22)(H,20,23)
InChIKeyZEDMCUMXCWGJGH-UHFFFAOYSA-N
MW378.41 g/mol
LogP0.68
Rot. Bonds3

About 7,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

7,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 167908104) has the molecular formula C16H18N4O5S and a molecular weight of 378.41 g/mol. Its IUPAC name is 7,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID167908104
Molecular FormulaC16H18N4O5S
Molecular Weight378.41 g/mol
Exact Mass378.10
IUPAC Name7,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCc1[nH]ncc1S(=O)(=O)NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O
InChIInChI=1S/C16H18N4O5S/c1-8-13(7-17-19-8)26(24,25)20-15(23)10-4-9-11(18-14(10)22)5-16(2,3)6-12(9)21/h4,7H,5-6H2,1-3H3,(H,17,19)(H,18,22)(H,20,23)
InChIKeyZEDMCUMXCWGJGH-UHFFFAOYSA-N
XLogP0.68
TPSA141.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of 7,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 167908104) is 7,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 7,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is Cc1[nH]ncc1S(=O)(=O)NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O.
What is the InChIKey of 7,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is ZEDMCUMXCWGJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5S/c1-8-13(7-17-19-8)26(24,25)20-15(23)10-4-9-11(18-14(10)22)5-16(2,3)6-12(9)21/h4,7H,5-6H2,1-3H3,(H,17,19)(H,18,22)(H,20,23).
What are the key properties of 7,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
7,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 167908104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).