N-(2-methylquinolin-4-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

C18H14N4O4S — CID 134130630

IUPACN-(2-methylquinolin-4-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c2ccccc2n1
InChIInChI=1S/C18H14N4O4S/c1-10-8-15(12-4-2-3-5-13(12)19-10)22-27(25,26)11-6-7-14-16(9-11)21-18(24)17(23)20-14/h2-9H,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyMDMAMCFJMLOSDB-UHFFFAOYSA-N
MW382.40 g/mol
LogP1.87
Rot. Bonds3

About N-(2-methylquinolin-4-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

N-(2-methylquinolin-4-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 134130630) has the molecular formula C18H14N4O4S and a molecular weight of 382.40 g/mol. Its IUPAC name is N-(2-methylquinolin-4-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-(2-methylquinolin-4-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID134130630
Molecular FormulaC18H14N4O4S
Molecular Weight382.40 g/mol
Exact Mass382.07
IUPAC NameN-(2-methylquinolin-4-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c2ccccc2n1
InChIInChI=1S/C18H14N4O4S/c1-10-8-15(12-4-2-3-5-13(12)19-10)22-27(25,26)11-6-7-14-16(9-11)21-18(24)17(23)20-14/h2-9H,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyMDMAMCFJMLOSDB-UHFFFAOYSA-N
XLogP1.87
TPSA124.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-4-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-(2-methylquinolin-4-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (CID 134130630) is N-(2-methylquinolin-4-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-(2-methylquinolin-4-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-(2-methylquinolin-4-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c2ccccc2n1.
What is the InChIKey of N-(2-methylquinolin-4-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is MDMAMCFJMLOSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4S/c1-10-8-15(12-4-2-3-5-13(12)19-10)22-27(25,26)11-6-7-14-16(9-11)21-18(24)17(23)20-14/h2-9H,1H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-(2-methylquinolin-4-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
N-(2-methylquinolin-4-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 382.40 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-4-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 134130630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).