(6-hydroxy-7-methoxy-4-oxo-3H-quinazolin-2-yl) methanesulfonate

C10H10N2O6S — CID 140528565

IUPAC(6-hydroxy-7-methoxy-4-oxo-3H-quinazolin-2-yl) methanesulfonate
SMILESCOc1cc2nc(OS(C)(=O)=O)[nH]c(=O)c2cc1O
InChIInChI=1S/C10H10N2O6S/c1-17-8-4-6-5(3-7(8)13)9(14)12-10(11-6)18-19(2,15)16/h3-4,13H,1-2H3,(H,11,12,14)
InChIKeyHMFASDNSPYAGQZ-UHFFFAOYSA-N
MW286.27 g/mol
LogP-0.02
Rot. Bonds3

About (6-hydroxy-7-methoxy-4-oxo-3H-quinazolin-2-yl) methanesulfonate

(6-hydroxy-7-methoxy-4-oxo-3H-quinazolin-2-yl) methanesulfonate (PubChem CID 140528565) has the molecular formula C10H10N2O6S and a molecular weight of 286.27 g/mol. Its IUPAC name is (6-hydroxy-7-methoxy-4-oxo-3H-quinazolin-2-yl) methanesulfonate.

Molecular Properties

Compound Name(6-hydroxy-7-methoxy-4-oxo-3H-quinazolin-2-yl) methanesulfonate
PubChem CID140528565
Molecular FormulaC10H10N2O6S
Molecular Weight286.27 g/mol
Exact Mass286.03
IUPAC Name(6-hydroxy-7-methoxy-4-oxo-3H-quinazolin-2-yl) methanesulfonate
SMILESCOc1cc2nc(OS(C)(=O)=O)[nH]c(=O)c2cc1O
InChIInChI=1S/C10H10N2O6S/c1-17-8-4-6-5(3-7(8)13)9(14)12-10(11-6)18-19(2,15)16/h3-4,13H,1-2H3,(H,11,12,14)
InChIKeyHMFASDNSPYAGQZ-UHFFFAOYSA-N
XLogP-0.02
TPSA118.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (6-hydroxy-7-methoxy-4-oxo-3H-quinazolin-2-yl) methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane
CID 158479470
2-bromo-6,7-dimethoxy-3H-quinazolin-4-one
CID 163409774
2-[(Z)-1-chloro-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135789389
diaminomethylidene-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)azanium
CID 135449625
6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 135742363
2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136951517
6-hydroxy-7-methoxy-3,1-benzoxazin-4-one
CID 18445191
7-hydroxy-8-methoxy-4-oxo-3H-pyrimido[4,5-b]quinoline-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 137219981
6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one
CID 137010023
(7-methoxy-4-oxo-3H-quinazolin-2-yl) acetate
CID 136506166
2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136640407
2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135519701

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-7-methoxy-4-oxo-3H-quinazolin-2-yl) methanesulfonate?
The IUPAC name of (6-hydroxy-7-methoxy-4-oxo-3H-quinazolin-2-yl) methanesulfonate (CID 140528565) is (6-hydroxy-7-methoxy-4-oxo-3H-quinazolin-2-yl) methanesulfonate.
What is the SMILES notation for (6-hydroxy-7-methoxy-4-oxo-3H-quinazolin-2-yl) methanesulfonate?
The canonical SMILES for (6-hydroxy-7-methoxy-4-oxo-3H-quinazolin-2-yl) methanesulfonate is COc1cc2nc(OS(C)(=O)=O)[nH]c(=O)c2cc1O.
What is the InChIKey of (6-hydroxy-7-methoxy-4-oxo-3H-quinazolin-2-yl) methanesulfonate?
The InChIKey is HMFASDNSPYAGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O6S/c1-17-8-4-6-5(3-7(8)13)9(14)12-10(11-6)18-19(2,15)16/h3-4,13H,1-2H3,(H,11,12,14).
What are the key properties of (6-hydroxy-7-methoxy-4-oxo-3H-quinazolin-2-yl) methanesulfonate?
(6-hydroxy-7-methoxy-4-oxo-3H-quinazolin-2-yl) methanesulfonate has a molecular weight of 286.27 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-7-methoxy-4-oxo-3H-quinazolin-2-yl) methanesulfonate is sourced from PubChem (CID 140528565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).