(4-oxo-6H-quinazolin-6-yl) acetate

C10H8N2O3 — CID 73473654

IUPAC(4-oxo-6H-quinazolin-6-yl) acetate
SMILESCC(=O)OC1C=CC2=NC=NC(=O)C2=C1
InChIInChI=1S/C10H8N2O3/c1-6(13)15-7-2-3-9-8(4-7)10(14)12-5-11-9/h2-5,7H,1H3
InChIKeyKKKUBRUCPIMLFZ-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.42
Rot. Bonds1

About (4-oxo-6H-quinazolin-6-yl) acetate

(4-oxo-6H-quinazolin-6-yl) acetate (PubChem CID 73473654) has the molecular formula C10H8N2O3 and a molecular weight of 204.18 g/mol. Its IUPAC name is (4-oxo-6H-quinazolin-6-yl) acetate.

Molecular Properties

Compound Name(4-oxo-6H-quinazolin-6-yl) acetate
PubChem CID73473654
Molecular FormulaC10H8N2O3
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Name(4-oxo-6H-quinazolin-6-yl) acetate
SMILESCC(=O)OC1C=CC2=NC=NC(=O)C2=C1
InChIInChI=1S/C10H8N2O3/c1-6(13)15-7-2-3-9-8(4-7)10(14)12-5-11-9/h2-5,7H,1H3
InChIKeyKKKUBRUCPIMLFZ-UHFFFAOYSA-N
XLogP0.42
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-oxo-6H-quinazolin-6-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 4,6-dihydroquinazoline-7-carboxylate
CID 150307893
ethyl 4-oxo-6H-quinazoline-6-carboxylate
CID 71304277
methyl 4-oxo-4aH-quinazoline-7-carboxylate
CID 71304419
ethyl 4-oxo-4aH-quinazoline-6-carboxylate
CID 71650531
(6-methoxy-4-oxo-6H-quinazolin-7-yl) acetate
CID 72208548
6-ethoxy-6H-quinazolin-4-one
CID 72741421
5,6-dimethoxy-6H-quinazolin-4-one
CID 72741422
2-chloro-6-methoxy-6H-quinazolin-4-one
CID 73300459
methyl 4-oxo-4aH-quinazoline-6-carboxylate
CID 77621069
methyl (4aS)-4-oxo-4aH-quinazoline-7-carboxylate
CID 146673873

Frequently Asked Questions

What is the IUPAC name of (4-oxo-6H-quinazolin-6-yl) acetate?
The IUPAC name of (4-oxo-6H-quinazolin-6-yl) acetate (CID 73473654) is (4-oxo-6H-quinazolin-6-yl) acetate.
What is the SMILES notation for (4-oxo-6H-quinazolin-6-yl) acetate?
The canonical SMILES for (4-oxo-6H-quinazolin-6-yl) acetate is CC(=O)OC1C=CC2=NC=NC(=O)C2=C1.
What is the InChIKey of (4-oxo-6H-quinazolin-6-yl) acetate?
The InChIKey is KKKUBRUCPIMLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-6(13)15-7-2-3-9-8(4-7)10(14)12-5-11-9/h2-5,7H,1H3.
What are the key properties of (4-oxo-6H-quinazolin-6-yl) acetate?
(4-oxo-6H-quinazolin-6-yl) acetate has a molecular weight of 204.18 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-6H-quinazolin-6-yl) acetate is sourced from PubChem (CID 73473654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).