N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide

C13H17N3O4S — CID 100669619

IUPACN-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C13H17N3O4S/c1-4-16(8(2)3)21(19,20)9-5-6-11-10(7-9)12(17)15-13(18)14-11/h5-8H,4H2,1-3H3,(H2,14,15,17,18)
InChIKeyAXFDIUOFMVVYPR-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.64
Rot. Bonds4

About N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide

N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide (PubChem CID 100669619) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide
PubChem CID100669619
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC NameN-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C13H17N3O4S/c1-4-16(8(2)3)21(19,20)9-5-6-11-10(7-9)12(17)15-13(18)14-11/h5-8H,4H2,1-3H3,(H2,14,15,17,18)
InChIKeyAXFDIUOFMVVYPR-UHFFFAOYSA-N
XLogP0.64
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Quinethazone
CID 6307
Metolazone
CID 4170
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
3-ethylquinazoline-2,4(1H,3H)-dione
CID 747439
(2R)-7-chloro-2-ethyl-4-oxo-2,3-dihydro-1H-quinazoline-6-sulfonamide
CID 6604207
(2R)-7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2-dihydroquinazoline-6-sulfonamide
CID 6604352
3-Butyl-2-hydroxyquinazolin-4(3h)-one
CID 246265
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
1-benzyl-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398822
4-[2-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)ethyl]benzene-1-sulfonamide
CID 2470552
N-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-N,1,3-trimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-quinazolinesulfonamide
CID 5307760
4-(8-methyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonamide
CID 127025300

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide?
The IUPAC name of N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide (CID 100669619) is N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide?
The canonical SMILES for N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide is CCN(C(C)C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide?
The InChIKey is AXFDIUOFMVVYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-4-16(8(2)3)21(19,20)9-5-6-11-10(7-9)12(17)15-13(18)14-11/h5-8H,4H2,1-3H3,(H2,14,15,17,18).
What are the key properties of N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide?
N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide has a molecular weight of 311.36 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 100669619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).