7-methoxy-2-methyl-4aH-quinazolin-4-one

C10H10N2O2 — CID 73183698

IUPAC7-methoxy-2-methyl-4aH-quinazolin-4-one
SMILESCOC1=CC2=NC(C)=NC(=O)C2C=C1
InChIInChI=1S/C10H10N2O2/c1-6-11-9-5-7(14-2)3-4-8(9)10(13)12-6/h3-5,8H,1-2H3
InChIKeyPPLBLMBTFKPWKR-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.10
Rot. Bonds1

About 7-methoxy-2-methyl-4aH-quinazolin-4-one

7-methoxy-2-methyl-4aH-quinazolin-4-one (PubChem CID 73183698) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 7-methoxy-2-methyl-4aH-quinazolin-4-one.

Molecular Properties

Compound Name7-methoxy-2-methyl-4aH-quinazolin-4-one
PubChem CID73183698
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name7-methoxy-2-methyl-4aH-quinazolin-4-one
SMILESCOC1=CC2=NC(C)=NC(=O)C2C=C1
InChIInChI=1S/C10H10N2O2/c1-6-11-9-5-7(14-2)3-4-8(9)10(13)12-6/h3-5,8H,1-2H3
InChIKeyPPLBLMBTFKPWKR-UHFFFAOYSA-N
XLogP1.10
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-6-methoxy-4aH-quinazolin-4-one
CID 72207288
6-(trifluoromethoxy)-4aH-quinazolin-4-one
CID 73448865
7-(trifluoromethoxy)-4aH-quinazolin-4-one
CID 76026790
5-fluoro-7-methoxy-4aH-quinazolin-4-one
CID 77309909
7-(difluoromethoxy)-6-methoxy-4aH-quinazolin-4-one
CID 178191001
2-methyl-4aH-quinazolin-4-one
CID 57310190
6,7-bis(2-methoxyethoxy)-4aH-quinazolin-4-one
CID 71651003
2-ethyl-4aH-quinazolin-4-one
CID 77520332
2-acetyl-4aH-quinazolin-4-one
CID 24871174
2-amino-6,7-dimethoxy-4aH-quinazolin-4-one
CID 45025720
6,7-dimethoxy-4aH-quinazolin-4-one
CID 71303885
6-hydroxy-7-methoxy-4aH-quinazolin-4-one
CID 71303970

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-4aH-quinazolin-4-one?
The IUPAC name of 7-methoxy-2-methyl-4aH-quinazolin-4-one (CID 73183698) is 7-methoxy-2-methyl-4aH-quinazolin-4-one.
What is the SMILES notation for 7-methoxy-2-methyl-4aH-quinazolin-4-one?
The canonical SMILES for 7-methoxy-2-methyl-4aH-quinazolin-4-one is COC1=CC2=NC(C)=NC(=O)C2C=C1.
What is the InChIKey of 7-methoxy-2-methyl-4aH-quinazolin-4-one?
The InChIKey is PPLBLMBTFKPWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-11-9-5-7(14-2)3-4-8(9)10(13)12-6/h3-5,8H,1-2H3.
What are the key properties of 7-methoxy-2-methyl-4aH-quinazolin-4-one?
7-methoxy-2-methyl-4aH-quinazolin-4-one has a molecular weight of 190.20 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-4aH-quinazolin-4-one is sourced from PubChem (CID 73183698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).