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Quinethazone

C10H12ClN3O3S — CID 6307

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC7-chloro-2-ethyl-4-oxo-2,3-dihydro-1H-quinazoline-6-sulfonamide
SMILESCCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1
InChIInChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)
InChIKeyAGMMTXLNIQSRCG-UHFFFAOYSA-N
MW289.74 g/mol
LogP0.88
Rot. Bonds2

About Quinethazone

Quinethazone (PubChem CID 6307) has the molecular formula C10H12ClN3O3S and a molecular weight of 289.74 g/mol. Its IUPAC name is 7-chloro-2-ethyl-4-oxo-2,3-dihydro-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameQuinethazone
PubChem CID6307
Molecular FormulaC10H12ClN3O3S
Molecular Weight289.74 g/mol
Exact Mass289.03
IUPAC Name7-chloro-2-ethyl-4-oxo-2,3-dihydro-1H-quinazoline-6-sulfonamide
SMILESCCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1
InChIInChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)
InChIKeyAGMMTXLNIQSRCG-UHFFFAOYSA-N
XLogP0.88
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Metolazone
CID 4170
4-chloranyl-2-(cyclohexylamino)-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide
CID 12698194
N-butyl-4-chloro-2-(cyclohexylamino)-5-sulfamoylbenzamide
CID 12698199
4-chloro-2-(cyclohexylamino)-N-(3-hydroxypropyl)-5-sulfamoylbenzamide
CID 126507467
4-chloro-2-(cyclohexylamino)-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 126507592
2-(benzylamino)-N-butyl-4-chloro-5-sulfamoylbenzamide
CID 126507891
N-butyl-4-chloro-2-(cyclooctylamino)-5-sulfamoylbenzamide
CID 126507962
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 126508531
(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

Frequently Asked Questions

What is the IUPAC name of Quinethazone?
The IUPAC name of Quinethazone (CID 6307) is 7-chloro-2-ethyl-4-oxo-2,3-dihydro-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for Quinethazone?
The canonical SMILES for Quinethazone is CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1.
What is the InChIKey of Quinethazone?
The InChIKey is AGMMTXLNIQSRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17).
What are the key properties of Quinethazone?
Quinethazone has a molecular weight of 289.74 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Quinethazone is sourced from PubChem (CID 6307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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