N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-methylimidazole-4-sulfonamide

C16H20N4O3S — CID 138673315

IUPACN-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCCN1C(=O)CCc2cc(CNS(=O)(=O)c3cn(C)cn3)ccc21
InChIInChI=1S/C16H20N4O3S/c1-3-20-14-6-4-12(8-13(14)5-7-16(20)21)9-18-24(22,23)15-10-19(2)11-17-15/h4,6,8,10-11,18H,3,5,7,9H2,1-2H3
InChIKeyKRHRGXVECODFBP-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.20
Rot. Bonds5

About N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-methylimidazole-4-sulfonamide

N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 138673315) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-methylimidazole-4-sulfonamide
PubChem CID138673315
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCCN1C(=O)CCc2cc(CNS(=O)(=O)c3cn(C)cn3)ccc21
InChIInChI=1S/C16H20N4O3S/c1-3-20-14-6-4-12(8-13(14)5-7-16(20)21)9-18-24(22,23)15-10-19(2)11-17-15/h4,6,8,10-11,18H,3,5,7,9H2,1-2H3
InChIKeyKRHRGXVECODFBP-UHFFFAOYSA-N
XLogP1.20
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-methylimidazole-4-sulfonamide (CID 138673315) is N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-methylimidazole-4-sulfonamide is CCN1C(=O)CCc2cc(CNS(=O)(=O)c3cn(C)cn3)ccc21.
What is the InChIKey of N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is KRHRGXVECODFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-3-20-14-6-4-12(8-13(14)5-7-16(20)21)9-18-24(22,23)15-10-19(2)11-17-15/h4,6,8,10-11,18H,3,5,7,9H2,1-2H3.
What are the key properties of N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-methylimidazole-4-sulfonamide?
N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 348.43 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 138673315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).