2,4-dioxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-quinazoline-6-sulfonamide

C21H20N4O5S — CID 166215334

IUPAC2,4-dioxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-quinazoline-6-sulfonamide
SMILESO=C1CC(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CN1C1CC1c1ccccc1
InChIInChI=1S/C21H20N4O5S/c26-19-8-13(11-25(19)18-10-15(18)12-4-2-1-3-5-12)24-31(29,30)14-6-7-17-16(9-14)20(27)23-21(28)22-17/h1-7,9,13,15,18,24H,8,10-11H2,(H2,22,23,27,28)
InChIKeyYNVYYXYAOPUHIF-UHFFFAOYSA-N
MW440.48 g/mol
LogP0.65
Rot. Bonds5

About 2,4-dioxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-quinazoline-6-sulfonamide

2,4-dioxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-quinazoline-6-sulfonamide (PubChem CID 166215334) has the molecular formula C21H20N4O5S and a molecular weight of 440.48 g/mol. Its IUPAC name is 2,4-dioxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound Name2,4-dioxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-quinazoline-6-sulfonamide
PubChem CID166215334
Molecular FormulaC21H20N4O5S
Molecular Weight440.48 g/mol
Exact Mass440.12
IUPAC Name2,4-dioxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-quinazoline-6-sulfonamide
SMILESO=C1CC(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CN1C1CC1c1ccccc1
InChIInChI=1S/C21H20N4O5S/c26-19-8-13(11-25(19)18-10-15(18)12-4-2-1-3-5-12)24-31(29,30)14-6-7-17-16(9-14)20(27)23-21(28)22-17/h1-7,9,13,15,18,24H,8,10-11H2,(H2,22,23,27,28)
InChIKeyYNVYYXYAOPUHIF-UHFFFAOYSA-N
XLogP0.65
TPSA132.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034344
2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide
CID 55905713
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 78858136
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 71926432
N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 119986757
N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 119986756
2,4-dioxo-N-(1-phenylcyclopentyl)-1H-quinazoline-6-sulfonamide
CID 46966742
(4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one
CID 94003407
N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 120726602
2,3-dioxo-N-(4-phenylcyclohexyl)-1,4-dihydroquinoxaline-6-sulfonamide
CID 34112148
N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 120726601
3-[[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]methyl]benzoic acid
CID 122031637

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-quinazoline-6-sulfonamide?
The IUPAC name of 2,4-dioxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-quinazoline-6-sulfonamide (CID 166215334) is 2,4-dioxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for 2,4-dioxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-quinazoline-6-sulfonamide?
The canonical SMILES for 2,4-dioxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-quinazoline-6-sulfonamide is O=C1CC(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CN1C1CC1c1ccccc1.
What is the InChIKey of 2,4-dioxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-quinazoline-6-sulfonamide?
The InChIKey is YNVYYXYAOPUHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5S/c26-19-8-13(11-25(19)18-10-15(18)12-4-2-1-3-5-12)24-31(29,30)14-6-7-17-16(9-14)20(27)23-21(28)22-17/h1-7,9,13,15,18,24H,8,10-11H2,(H2,22,23,27,28).
What are the key properties of 2,4-dioxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-quinazoline-6-sulfonamide?
2,4-dioxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-quinazoline-6-sulfonamide has a molecular weight of 440.48 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 166215334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).