6-ethoxy-6H-quinazolin-4-one

C10H10N2O2 — CID 72741421

IUPAC6-ethoxy-6H-quinazolin-4-one
SMILESCCOC1C=CC2=NC=NC(=O)C2=C1
InChIInChI=1S/C10H10N2O2/c1-2-14-7-3-4-9-8(5-7)10(13)12-6-11-9/h3-7H,2H2,1H3
InChIKeyWZIUYDHXVXJZMC-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.90
Rot. Bonds2

About 6-ethoxy-6H-quinazolin-4-one

6-ethoxy-6H-quinazolin-4-one (PubChem CID 72741421) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 6-ethoxy-6H-quinazolin-4-one.

Molecular Properties

Compound Name6-ethoxy-6H-quinazolin-4-one
PubChem CID72741421
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name6-ethoxy-6H-quinazolin-4-one
SMILESCCOC1C=CC2=NC=NC(=O)C2=C1
InChIInChI=1S/C10H10N2O2/c1-2-14-7-3-4-9-8(5-7)10(13)12-6-11-9/h3-7H,2H2,1H3
InChIKeyWZIUYDHXVXJZMC-UHFFFAOYSA-N
XLogP0.90
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-5-propoxy-6H-quinazolin-4-one
CID 91507353
ethyl 4-oxo-6H-quinazoline-6-carboxylate
CID 71304277
ethyl 4-oxo-4aH-quinazoline-6-carboxylate
CID 71650531
(6-methoxy-4-oxo-6H-quinazolin-7-yl) acetate
CID 72208548
5,6-dimethoxy-6H-quinazolin-4-one
CID 72741422
2-chloro-6-methoxy-6H-quinazolin-4-one
CID 73300459
(4-oxo-6H-quinazolin-6-yl) acetate
CID 73473654
2-amino-6,7-dimethoxy-6H-quinazolin-4-one
CID 76845143
2-chloro-6,7-dimethoxy-6H-quinazolin-4-one
CID 76845186
6,7-dimethoxy-2-methyl-6H-quinazolin-4-one
CID 78170554
2-ethoxy-N-(4-oxoquinazolin-6-ylidene)butanamide
CID 133568122

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-6H-quinazolin-4-one?
The IUPAC name of 6-ethoxy-6H-quinazolin-4-one (CID 72741421) is 6-ethoxy-6H-quinazolin-4-one.
What is the SMILES notation for 6-ethoxy-6H-quinazolin-4-one?
The canonical SMILES for 6-ethoxy-6H-quinazolin-4-one is CCOC1C=CC2=NC=NC(=O)C2=C1.
What is the InChIKey of 6-ethoxy-6H-quinazolin-4-one?
The InChIKey is WZIUYDHXVXJZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-14-7-3-4-9-8(5-7)10(13)12-6-11-9/h3-7H,2H2,1H3.
What are the key properties of 6-ethoxy-6H-quinazolin-4-one?
6-ethoxy-6H-quinazolin-4-one has a molecular weight of 190.20 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-6H-quinazolin-4-one is sourced from PubChem (CID 72741421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).