6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane

C23H30N4O6 — CID 158479470

IUPAC6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane
SMILESC.C.COc1cc2nc(C)[nH]c(=O)c2cc1O.COc1cc2nc(C)[nH]c(=O)c2cc1OC
InChIInChI=1S/C11H12N2O3.C10H10N2O3.2CH4/c1-6-12-8-5-10(16-3)9(15-2)4-7(8)11(14)13-6;1-5-11-7-4-9(15-2)8(13)3-6(7)10(14)12-5;;/h4-5H,1-3H3,(H,12,13,14);3-4,13H,1-2H3,(H,11,12,14);2*1H4
InChIKeyHHIOQTAVSWDZHQ-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.47
Rot. Bonds3

About 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane

6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane (PubChem CID 158479470) has the molecular formula C23H30N4O6 and a molecular weight of 458.52 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane
PubChem CID158479470
Molecular FormulaC23H30N4O6
Molecular Weight458.52 g/mol
Exact Mass458.22
IUPAC Name6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane
SMILESC.C.COc1cc2nc(C)[nH]c(=O)c2cc1O.COc1cc2nc(C)[nH]c(=O)c2cc1OC
InChIInChI=1S/C11H12N2O3.C10H10N2O3.2CH4/c1-6-12-8-5-10(16-3)9(15-2)4-7(8)11(14)13-6;1-5-11-7-4-9(15-2)8(13)3-6(7)10(14)12-5;;/h4-5H,1-3H3,(H,12,13,14);3-4,13H,1-2H3,(H,11,12,14);2*1H4
InChIKeyHHIOQTAVSWDZHQ-UHFFFAOYSA-N
XLogP3.47
TPSA139.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane with MolForge

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Related Compounds

7-(4-hydroxy-3-oxobutoxy)-6-methoxy-2-methyl-3H-quinazolin-4-one
CID 171600544
(6-hydroxy-7-methoxy-4-oxo-3H-quinazolin-2-yl) methanesulfonate
CID 140528565
2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136951517
2-bromo-6,7-dimethoxy-3H-quinazolin-4-one
CID 163409774
7-methoxy-2-methyl-6-[(3R)-oxolan-3-yl]oxy-3H-quinazolin-4-one
CID 154704421
6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 135742363
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
(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl) (2R)-2,4-dimethylpiperazine-1-carboxylate
CID 167197487
7-methoxy-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one
CID 167028862
6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497
4-(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylic acid
CID 175809486

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane?
The IUPAC name of 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane (CID 158479470) is 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane?
The canonical SMILES for 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane is C.C.COc1cc2nc(C)[nH]c(=O)c2cc1O.COc1cc2nc(C)[nH]c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane?
The InChIKey is HHIOQTAVSWDZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3.C10H10N2O3.2CH4/c1-6-12-8-5-10(16-3)9(15-2)4-7(8)11(14)13-6;1-5-11-7-4-9(15-2)8(13)3-6(7)10(14)12-5;;/h4-5H,1-3H3,(H,12,13,14);3-4,13H,1-2H3,(H,11,12,14);2*1H4.
What are the key properties of 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane?
6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane has a molecular weight of 458.52 g/mol, XLogP of 3.47, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane is sourced from PubChem (CID 158479470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).