N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride

C12H17ClN4O4S — CID 120825205

IUPACN-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.Cl
InChIInChI=1S/C12H16N4O4S.ClH/c1-7(13-2)6-14-21(19,20)8-3-4-10-9(5-8)11(17)16-12(18)15-10;/h3-5,7,13-14H,6H2,1-2H3,(H2,15,16,17,18);1H
InChIKeyNQUJFELWPJLEST-UHFFFAOYSA-N
MW348.81 g/mol
LogP-0.48
Rot. Bonds5

About N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride

N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride (PubChem CID 120825205) has the molecular formula C12H17ClN4O4S and a molecular weight of 348.81 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
PubChem CID120825205
Molecular FormulaC12H17ClN4O4S
Molecular Weight348.81 g/mol
Exact Mass348.07
IUPAC NameN-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.Cl
InChIInChI=1S/C12H16N4O4S.ClH/c1-7(13-2)6-14-21(19,20)8-3-4-10-9(5-8)11(17)16-12(18)15-10;/h3-5,7,13-14H,6H2,1-2H3,(H2,15,16,17,18);1H
InChIKeyNQUJFELWPJLEST-UHFFFAOYSA-N
XLogP-0.48
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034377
3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824457
N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 119986756
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 52565667
N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 52565668
N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 119986757
N-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 102697434
N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide
CID 100669619
N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034344
N-[1-(4-tert-butylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 42947085
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride (CID 120825205) is N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride is CNC(C)CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride?
The InChIKey is NQUJFELWPJLEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S.ClH/c1-7(13-2)6-14-21(19,20)8-3-4-10-9(5-8)11(17)16-12(18)15-10;/h3-5,7,13-14H,6H2,1-2H3,(H2,15,16,17,18);1H.
What are the key properties of N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride?
N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride has a molecular weight of 348.81 g/mol, XLogP of -0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride is sourced from PubChem (CID 120825205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).