(7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate

C11H10N2O4 — CID 71650931

IUPAC(7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate
SMILESCOC1=CC2=NC=NC(=O)C2C=C1OC(C)=O
InChIInChI=1S/C11H10N2O4/c1-6(14)17-10-3-7-8(4-9(10)16-2)12-5-13-11(7)15/h3-5,7H,1-2H3
InChIKeyVNDZFOUCJMDIHY-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.60
Rot. Bonds2

About (7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate

(7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate (PubChem CID 71650931) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is (7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate.

Molecular Properties

Compound Name(7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate
PubChem CID71650931
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name(7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate
SMILESCOC1=CC2=NC=NC(=O)C2C=C1OC(C)=O
InChIInChI=1S/C11H10N2O4/c1-6(14)17-10-3-7-8(4-9(10)16-2)12-5-13-11(7)15/h3-5,7H,1-2H3
InChIKeyVNDZFOUCJMDIHY-UHFFFAOYSA-N
XLogP0.60
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
6-iodo-7-methoxy-4aH-quinazolin-4-one
CID 73197381
7-ethoxy-6-hydroxy-4aH-quinazolin-4-one
CID 73412209
6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-4aH-quinazolin-4-one
CID 73860538
(6-methoxy-4-oxo-4aH-quinazolin-7-yl) acetate
CID 73877463

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate?
The IUPAC name of (7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate (CID 71650931) is (7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate.
What is the SMILES notation for (7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate?
The canonical SMILES for (7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate is COC1=CC2=NC=NC(=O)C2C=C1OC(C)=O.
What is the InChIKey of (7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate?
The InChIKey is VNDZFOUCJMDIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-6(14)17-10-3-7-8(4-9(10)16-2)12-5-13-11(7)15/h3-5,7H,1-2H3.
What are the key properties of (7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate?
(7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate has a molecular weight of 234.21 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate is sourced from PubChem (CID 71650931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).