N-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide

C18H18N4O4S — CID 135629285

IUPACN-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(NCCCNS(=O)(=O)c1ccccc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H18N4O4S/c23-17-14-9-4-5-10-15(14)21-16(22-17)18(24)19-11-6-12-20-27(25,26)13-7-2-1-3-8-13/h1-5,7-10,20H,6,11-12H2,(H,19,24)(H,21,22,23)
InChIKeyREQBZRODBIZMQQ-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.02
Rot. Bonds7

About N-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide

N-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 135629285) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID135629285
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(NCCCNS(=O)(=O)c1ccccc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H18N4O4S/c23-17-14-9-4-5-10-15(14)21-16(22-17)18(24)19-11-6-12-20-27(25,26)13-7-2-1-3-8-13/h1-5,7-10,20H,6,11-12H2,(H,19,24)(H,21,22,23)
InChIKeyREQBZRODBIZMQQ-UHFFFAOYSA-N
XLogP1.02
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
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-[(2-bromobenzoyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658213
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
4-oxo-N-[3-(thiophene-2-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
CID 135629197
4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
CID 135629201
N-(3-imidazol-1-ylpropyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135654270
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658789
N-[3-[methyl-(2-phenylacetyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658274
4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide
CID 135658727
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135638515
N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136790311
N-[3-[(4-methoxybenzoyl)-methylamino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135629300
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide (CID 135629285) is N-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide is O=C(NCCCNS(=O)(=O)c1ccccc1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is REQBZRODBIZMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c23-17-14-9-4-5-10-15(14)21-16(22-17)18(24)19-11-6-12-20-27(25,26)13-7-2-1-3-8-13/h1-5,7-10,20H,6,11-12H2,(H,19,24)(H,21,22,23).
What are the key properties of N-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide?
N-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 386.43 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-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135629285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).