1-hydroxy-6,7-dimethoxyquinazolin-4-one

C10H10N2O4 — CID 141109188

IUPAC1-hydroxy-6,7-dimethoxyquinazolin-4-one
SMILESCOc1cc2c(=O)ncn(O)c2cc1OC
InChIInChI=1S/C10H10N2O4/c1-15-8-3-6-7(4-9(8)16-2)12(14)5-11-10(6)13/h3-5,14H,1-2H3
InChIKeyBPLDWUJGLRZMIN-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.65
Rot. Bonds2

About 1-hydroxy-6,7-dimethoxyquinazolin-4-one

1-hydroxy-6,7-dimethoxyquinazolin-4-one (PubChem CID 141109188) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 1-hydroxy-6,7-dimethoxyquinazolin-4-one.

Molecular Properties

Compound Name1-hydroxy-6,7-dimethoxyquinazolin-4-one
PubChem CID141109188
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name1-hydroxy-6,7-dimethoxyquinazolin-4-one
SMILESCOc1cc2c(=O)ncn(O)c2cc1OC
InChIInChI=1S/C10H10N2O4/c1-15-8-3-6-7(4-9(8)16-2)12(14)5-11-10(6)13/h3-5,14H,1-2H3
InChIKeyBPLDWUJGLRZMIN-UHFFFAOYSA-N
XLogP0.65
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6,7-dimethoxyquinazolin-4-one?
The IUPAC name of 1-hydroxy-6,7-dimethoxyquinazolin-4-one (CID 141109188) is 1-hydroxy-6,7-dimethoxyquinazolin-4-one.
What is the SMILES notation for 1-hydroxy-6,7-dimethoxyquinazolin-4-one?
The canonical SMILES for 1-hydroxy-6,7-dimethoxyquinazolin-4-one is COc1cc2c(=O)ncn(O)c2cc1OC.
What is the InChIKey of 1-hydroxy-6,7-dimethoxyquinazolin-4-one?
The InChIKey is BPLDWUJGLRZMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-15-8-3-6-7(4-9(8)16-2)12(14)5-11-10(6)13/h3-5,14H,1-2H3.
What are the key properties of 1-hydroxy-6,7-dimethoxyquinazolin-4-one?
1-hydroxy-6,7-dimethoxyquinazolin-4-one has a molecular weight of 222.20 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6,7-dimethoxyquinazolin-4-one is sourced from PubChem (CID 141109188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).