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

C19H22N4O4S — CID 52565688

IUPACN-[3-(N-ethylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESCCN(CCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccccc1
InChIInChI=1S/C19H22N4O4S/c1-2-23(14-7-4-3-5-8-14)12-6-11-20-28(26,27)15-9-10-17-16(13-15)18(24)22-19(25)21-17/h3-5,7-10,13,20H,2,6,11-12H2,1H3,(H2,21,22,24,25)
InChIKeyHMMSRRPCKTWROJ-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.41
Rot. Bonds8

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

N-[3-(N-ethylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (PubChem CID 52565688) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
PubChem CID52565688
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC NameN-[3-(N-ethylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESCCN(CCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccccc1
InChIInChI=1S/C19H22N4O4S/c1-2-23(14-7-4-3-5-8-14)12-6-11-20-28(26,27)15-9-10-17-16(13-15)18(24)22-19(25)21-17/h3-5,7-10,13,20H,2,6,11-12H2,1H3,(H2,21,22,24,25)
InChIKeyHMMSRRPCKTWROJ-UHFFFAOYSA-N
XLogP1.41
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.41
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-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 52565588
N-[3-(diethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 18525278
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(N-ethylanilino)propyl]benzenesulfonamide
CID 100540888
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-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 120825205
N-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide
CID 38257263
N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide
CID 100669619
2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 3157364
N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034377
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 55905845
2,4-dioxo-N-(1-phenylcyclopentyl)-1H-quinazoline-6-sulfonamide
CID 46966742

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (CID 52565688) is N-[3-(N-ethylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is CCN(CCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The InChIKey is HMMSRRPCKTWROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-2-23(14-7-4-3-5-8-14)12-6-11-20-28(26,27)15-9-10-17-16(13-15)18(24)22-19(25)21-17/h3-5,7-10,13,20H,2,6,11-12H2,1H3,(H2,21,22,24,25).
What are the key properties of N-[3-(N-ethylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
N-[3-(N-ethylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide has a molecular weight of 402.48 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 52565688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).