3-amino-2-ethylquinazolin-4-one

C10H11N3O — CID 577253

IUPAC3-amino-2-ethylquinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1N
InChIInChI=1S/C10H11N3O/c1-2-9-12-8-6-4-3-5-7(8)10(14)13(9)11/h3-6H,2,11H2,1H3
InChIKeyVAXBRNDGRQUZHY-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.67
Rot. Bonds1

About 3-amino-2-ethylquinazolin-4-one

3-amino-2-ethylquinazolin-4-one (PubChem CID 577253) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-amino-2-ethylquinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-ethylquinazolin-4-one
PubChem CID577253
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3-amino-2-ethylquinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1N
InChIInChI=1S/C10H11N3O/c1-2-9-12-8-6-4-3-5-7(8)10(14)13(9)11/h3-6H,2,11H2,1H3
InChIKeyVAXBRNDGRQUZHY-UHFFFAOYSA-N
XLogP0.67
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethylquinazolin-4-one?
The IUPAC name of 3-amino-2-ethylquinazolin-4-one (CID 577253) is 3-amino-2-ethylquinazolin-4-one.
What is the SMILES notation for 3-amino-2-ethylquinazolin-4-one?
The canonical SMILES for 3-amino-2-ethylquinazolin-4-one is CCc1nc2ccccc2c(=O)n1N.
What is the InChIKey of 3-amino-2-ethylquinazolin-4-one?
The InChIKey is VAXBRNDGRQUZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-9-12-8-6-4-3-5-7(8)10(14)13(9)11/h3-6H,2,11H2,1H3.
What are the key properties of 3-amino-2-ethylquinazolin-4-one?
3-amino-2-ethylquinazolin-4-one has a molecular weight of 189.22 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethylquinazolin-4-one is sourced from PubChem (CID 577253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).