N-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide

C18H20N4O4S — CID 52565588

IUPACN-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESCN(CCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccccc1
InChIInChI=1S/C18H20N4O4S/c1-22(13-6-3-2-4-7-13)11-5-10-19-27(25,26)14-8-9-16-15(12-14)17(23)21-18(24)20-16/h2-4,6-9,12,19H,5,10-11H2,1H3,(H2,20,21,23,24)
InChIKeyPZAGQZAPILIZNT-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.02
Rot. Bonds7

About N-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide

N-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (PubChem CID 52565588) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
PubChem CID52565588
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC NameN-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESCN(CCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccccc1
InChIInChI=1S/C18H20N4O4S/c1-22(13-6-3-2-4-7-13)11-5-10-19-27(25,26)14-8-9-16-15(12-14)17(23)21-18(24)20-16/h2-4,6-9,12,19H,5,10-11H2,1H3,(H2,20,21,23,24)
InChIKeyPZAGQZAPILIZNT-UHFFFAOYSA-N
XLogP1.02
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(N-ethylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 52565688
N-[2-(dimethylamino)ethyl]-2,4-dioxo-N-phenyl-1H-quinazoline-6-sulfonamide
CID 60609383
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 78858136
N-[3-(diethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 18525278
6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide
CID 26945524
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 100540791
N-[3-(N-methylanilino)propyl]-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100733501
N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 120825205
6-[benzyl(methyl)amino]-1H-quinazoline-2,4-dione
CID 13499296
2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 3157364
3-bromo-N-[2-(N-methylanilino)ethyl]benzenesulfonamide
CID 60697674
N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034377

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (CID 52565588) is N-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is CN(CCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The InChIKey is PZAGQZAPILIZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-22(13-6-3-2-4-7-13)11-5-10-19-27(25,26)14-8-9-16-15(12-14)17(23)21-18(24)20-16/h2-4,6-9,12,19H,5,10-11H2,1H3,(H2,20,21,23,24).
What are the key properties of N-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
N-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide has a molecular weight of 388.45 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 52565588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).