2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide

C13H14N4O3S — CID 62998385

IUPAC2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)[nH]1
InChIInChI=1S/C13H14N4O3S/c1-8-14-7-13(15-8)21(19,20)17-10-3-4-11-9(6-10)2-5-12(18)16-11/h3-4,6-7,17H,2,5H2,1H3,(H,14,15)(H,16,18)
InChIKeyUCUMHWWBBGSTJH-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.40
Rot. Bonds3

About 2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide

2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide (PubChem CID 62998385) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide
PubChem CID62998385
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)[nH]1
InChIInChI=1S/C13H14N4O3S/c1-8-14-7-13(15-8)21(19,20)17-10-3-4-11-9(6-10)2-5-12(18)16-11/h3-4,6-7,17H,2,5H2,1H3,(H,14,15)(H,16,18)
InChIKeyUCUMHWWBBGSTJH-UHFFFAOYSA-N
XLogP1.40
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide (CID 62998385) is 2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)[nH]1.
What is the InChIKey of 2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide?
The InChIKey is UCUMHWWBBGSTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-8-14-7-13(15-8)21(19,20)17-10-3-4-11-9(6-10)2-5-12(18)16-11/h3-4,6-7,17H,2,5H2,1H3,(H,14,15)(H,16,18).
What are the key properties of 2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide?
2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide has a molecular weight of 306.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 62998385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).