5,7-dimethoxy-4aH-quinazolin-4-one

C10H10N2O3 — CID 73158327

IUPAC5,7-dimethoxy-4aH-quinazolin-4-one
SMILESCOC1=CC2=NC=NC(=O)C2C(OC)=C1
InChIInChI=1S/C10H10N2O3/c1-14-6-3-7-9(8(4-6)15-2)10(13)12-5-11-7/h3-5,9H,1-2H3
InChIKeyGVJZCEZGACMMGB-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.69
Rot. Bonds2

About 5,7-dimethoxy-4aH-quinazolin-4-one

5,7-dimethoxy-4aH-quinazolin-4-one (PubChem CID 73158327) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5,7-dimethoxy-4aH-quinazolin-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-4aH-quinazolin-4-one
PubChem CID73158327
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name5,7-dimethoxy-4aH-quinazolin-4-one
SMILESCOC1=CC2=NC=NC(=O)C2C(OC)=C1
InChIInChI=1S/C10H10N2O3/c1-14-6-3-7-9(8(4-6)15-2)10(13)12-5-11-7/h3-5,9H,1-2H3
InChIKeyGVJZCEZGACMMGB-UHFFFAOYSA-N
XLogP0.69
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-6-methoxy-4aH-quinazolin-4-one
CID 72207288
5-fluoro-7-methoxy-4aH-quinazolin-4-one
CID 77309909
7-(difluoromethoxy)-6-methoxy-4aH-quinazolin-4-one
CID 178191001
6,7-bis(2-methoxyethoxy)-4aH-quinazolin-4-one
CID 71651003
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
4(3H)-Quinazolinone, 6,7-diethoxy-
CID 73025681
5-methoxy-4aH-quinazolin-4-one
CID 73158329
7-methoxy-2-methyl-4aH-quinazolin-4-one
CID 73183698
6-iodo-7-methoxy-4aH-quinazolin-4-one
CID 73197381
6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-4aH-quinazolin-4-one
CID 73860538

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-4aH-quinazolin-4-one?
The IUPAC name of 5,7-dimethoxy-4aH-quinazolin-4-one (CID 73158327) is 5,7-dimethoxy-4aH-quinazolin-4-one.
What is the SMILES notation for 5,7-dimethoxy-4aH-quinazolin-4-one?
The canonical SMILES for 5,7-dimethoxy-4aH-quinazolin-4-one is COC1=CC2=NC=NC(=O)C2C(OC)=C1.
What is the InChIKey of 5,7-dimethoxy-4aH-quinazolin-4-one?
The InChIKey is GVJZCEZGACMMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-14-6-3-7-9(8(4-6)15-2)10(13)12-5-11-7/h3-5,9H,1-2H3.
What are the key properties of 5,7-dimethoxy-4aH-quinazolin-4-one?
5,7-dimethoxy-4aH-quinazolin-4-one has a molecular weight of 206.20 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-4aH-quinazolin-4-one is sourced from PubChem (CID 73158327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).