6-acetyl-7-methoxy-3H-quinazolin-4-one

C11H10N2O3 — CID 137176609

IUPAC6-acetyl-7-methoxy-3H-quinazolin-4-one
SMILESCOc1cc2nc[nH]c(=O)c2cc1C(C)=O
InChIInChI=1S/C11H10N2O3/c1-6(14)7-3-8-9(4-10(7)16-2)12-5-13-11(8)15/h3-5H,1-2H3,(H,12,13,15)
InChIKeyWAQPAWZOCODKNL-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.13
Rot. Bonds2

About 6-acetyl-7-methoxy-3H-quinazolin-4-one

6-acetyl-7-methoxy-3H-quinazolin-4-one (PubChem CID 137176609) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 6-acetyl-7-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-acetyl-7-methoxy-3H-quinazolin-4-one
PubChem CID137176609
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name6-acetyl-7-methoxy-3H-quinazolin-4-one
SMILESCOc1cc2nc[nH]c(=O)c2cc1C(C)=O
InChIInChI=1S/C11H10N2O3/c1-6(14)7-3-8-9(4-10(7)16-2)12-5-13-11(8)15/h3-5H,1-2H3,(H,12,13,15)
InChIKeyWAQPAWZOCODKNL-UHFFFAOYSA-N
XLogP1.13
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-7-methoxy-3H-quinazolin-4-one?
The IUPAC name of 6-acetyl-7-methoxy-3H-quinazolin-4-one (CID 137176609) is 6-acetyl-7-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 6-acetyl-7-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 6-acetyl-7-methoxy-3H-quinazolin-4-one is COc1cc2nc[nH]c(=O)c2cc1C(C)=O.
What is the InChIKey of 6-acetyl-7-methoxy-3H-quinazolin-4-one?
The InChIKey is WAQPAWZOCODKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6(14)7-3-8-9(4-10(7)16-2)12-5-13-11(8)15/h3-5H,1-2H3,(H,12,13,15).
What are the key properties of 6-acetyl-7-methoxy-3H-quinazolin-4-one?
6-acetyl-7-methoxy-3H-quinazolin-4-one has a molecular weight of 218.21 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-7-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 137176609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).