N-methyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-quinazoline-6-sulfonamide

C13H16N4O4S — CID 119978822

IUPACN-methyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-quinazoline-6-sulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C13H16N4O4S/c1-17(8-4-5-14-7-8)22(20,21)9-2-3-11-10(6-9)12(18)16-13(19)15-11/h2-3,6,8,14H,4-5,7H2,1H3,(H2,15,16,18,19)
InChIKeyMQZQRAPNSQEWGK-UHFFFAOYSA-N
MW324.36 g/mol
LogP-0.80
Rot. Bonds3

About N-methyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-quinazoline-6-sulfonamide

N-methyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-quinazoline-6-sulfonamide (PubChem CID 119978822) has the molecular formula C13H16N4O4S and a molecular weight of 324.36 g/mol. Its IUPAC name is N-methyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-methyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-quinazoline-6-sulfonamide
PubChem CID119978822
Molecular FormulaC13H16N4O4S
Molecular Weight324.36 g/mol
Exact Mass324.09
IUPAC NameN-methyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-quinazoline-6-sulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C13H16N4O4S/c1-17(8-4-5-14-7-8)22(20,21)9-2-3-11-10(6-9)12(18)16-13(19)15-11/h2-3,6,8,14H,4-5,7H2,1H3,(H2,15,16,18,19)
InChIKeyMQZQRAPNSQEWGK-UHFFFAOYSA-N
XLogP-0.80
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-quinazoline-6-sulfonamide?
The IUPAC name of N-methyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-quinazoline-6-sulfonamide (CID 119978822) is N-methyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for N-methyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-quinazoline-6-sulfonamide?
The canonical SMILES for N-methyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-quinazoline-6-sulfonamide is CN(C1CCNC1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of N-methyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-quinazoline-6-sulfonamide?
The InChIKey is MQZQRAPNSQEWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S/c1-17(8-4-5-14-7-8)22(20,21)9-2-3-11-10(6-9)12(18)16-13(19)15-11/h2-3,6,8,14H,4-5,7H2,1H3,(H2,15,16,18,19).
What are the key properties of N-methyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-quinazoline-6-sulfonamide?
N-methyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-quinazoline-6-sulfonamide has a molecular weight of 324.36 g/mol, XLogP of -0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 119978822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).