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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Related Compounds

7-fluoro-1-(3-hydroxy-3-methylbutyl)-6-methoxyquinazolin-4-one
CID 154738314
2-(2-bromoethyl)-6,7-dimethoxy-4-methylphthalazin-1-one
CID 13327031
7,8-dimethoxy-4H-imidazo[1,2-a]quinazolin-5-one
CID 166476403
5,6-dimethoxy-1-methyl-3-propan-2-ylindazole
CID 164758234
5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one
CID 10405159
4,5,15,16-tetramethoxy-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-one
CID 134505202
3-tert-butyl-6,7-dimethoxyquinazolin-4-one
CID 7749368
1-hydroxy-5,6-dimethoxyindazole
CID 101356169
7,8-dimethoxy-5H-imidazo[1,5-a]quinoxalin-4-one
CID 11776619
4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate
CID 7749360
8,9-dimethoxy-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 132517505
7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 15675271

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).