N-(7-methyl-2,4-dioxo-6-pyridazin-3-yl-1H-quinazolin-3-yl)methanesulfonamide

C14H13N5O4S — CID 59164428

IUPACN-(7-methyl-2,4-dioxo-6-pyridazin-3-yl-1H-quinazolin-3-yl)methanesulfonamide
SMILESCc1cc2[nH]c(=O)n(NS(C)(=O)=O)c(=O)c2cc1-c1cccnn1
InChIInChI=1S/C14H13N5O4S/c1-8-6-12-10(7-9(8)11-4-3-5-15-17-11)13(20)19(14(21)16-12)18-24(2,22)23/h3-7,18H,1-2H3,(H,16,21)
InChIKeyWZEIEMAWVCWLPL-UHFFFAOYSA-N
MW347.36 g/mol
LogP-0.04
Rot. Bonds3

About N-(7-methyl-2,4-dioxo-6-pyridazin-3-yl-1H-quinazolin-3-yl)methanesulfonamide

N-(7-methyl-2,4-dioxo-6-pyridazin-3-yl-1H-quinazolin-3-yl)methanesulfonamide (PubChem CID 59164428) has the molecular formula C14H13N5O4S and a molecular weight of 347.36 g/mol. Its IUPAC name is N-(7-methyl-2,4-dioxo-6-pyridazin-3-yl-1H-quinazolin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(7-methyl-2,4-dioxo-6-pyridazin-3-yl-1H-quinazolin-3-yl)methanesulfonamide
PubChem CID59164428
Molecular FormulaC14H13N5O4S
Molecular Weight347.36 g/mol
Exact Mass347.07
IUPAC NameN-(7-methyl-2,4-dioxo-6-pyridazin-3-yl-1H-quinazolin-3-yl)methanesulfonamide
SMILESCc1cc2[nH]c(=O)n(NS(C)(=O)=O)c(=O)c2cc1-c1cccnn1
InChIInChI=1S/C14H13N5O4S/c1-8-6-12-10(7-9(8)11-4-3-5-15-17-11)13(20)19(14(21)16-12)18-24(2,22)23/h3-7,18H,1-2H3,(H,16,21)
InChIKeyWZEIEMAWVCWLPL-UHFFFAOYSA-N
XLogP-0.04
TPSA126.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-2,4-dioxo-6-pyridazin-3-yl-1H-quinazolin-3-yl)methanesulfonamide?
The IUPAC name of N-(7-methyl-2,4-dioxo-6-pyridazin-3-yl-1H-quinazolin-3-yl)methanesulfonamide (CID 59164428) is N-(7-methyl-2,4-dioxo-6-pyridazin-3-yl-1H-quinazolin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(7-methyl-2,4-dioxo-6-pyridazin-3-yl-1H-quinazolin-3-yl)methanesulfonamide?
The canonical SMILES for N-(7-methyl-2,4-dioxo-6-pyridazin-3-yl-1H-quinazolin-3-yl)methanesulfonamide is Cc1cc2[nH]c(=O)n(NS(C)(=O)=O)c(=O)c2cc1-c1cccnn1.
What is the InChIKey of N-(7-methyl-2,4-dioxo-6-pyridazin-3-yl-1H-quinazolin-3-yl)methanesulfonamide?
The InChIKey is WZEIEMAWVCWLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O4S/c1-8-6-12-10(7-9(8)11-4-3-5-15-17-11)13(20)19(14(21)16-12)18-24(2,22)23/h3-7,18H,1-2H3,(H,16,21).
What are the key properties of N-(7-methyl-2,4-dioxo-6-pyridazin-3-yl-1H-quinazolin-3-yl)methanesulfonamide?
N-(7-methyl-2,4-dioxo-6-pyridazin-3-yl-1H-quinazolin-3-yl)methanesulfonamide has a molecular weight of 347.36 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-2,4-dioxo-6-pyridazin-3-yl-1H-quinazolin-3-yl)methanesulfonamide is sourced from PubChem (CID 59164428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).