8-ethanimidoyl-3-methylquinazolin-4-one

C11H11N3O — CID 138478034

IUPAC8-ethanimidoyl-3-methylquinazolin-4-one
SMILES[H]/N=C(\C)c1cccc2c(=O)n(C)cnc12
InChIInChI=1S/C11H11N3O/c1-7(12)8-4-3-5-9-10(8)13-6-14(2)11(9)15/h3-6,12H,1-2H3/b12-7+
InChIKeySLULHNCHRYPQNT-KPKJPENVSA-N
MW201.23 g/mol
LogP1.32
Rot. Bonds1

About 8-ethanimidoyl-3-methylquinazolin-4-one

8-ethanimidoyl-3-methylquinazolin-4-one (PubChem CID 138478034) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 8-ethanimidoyl-3-methylquinazolin-4-one.

Molecular Properties

Compound Name8-ethanimidoyl-3-methylquinazolin-4-one
PubChem CID138478034
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name8-ethanimidoyl-3-methylquinazolin-4-one
SMILES[H]/N=C(\C)c1cccc2c(=O)n(C)cnc12
InChIInChI=1S/C11H11N3O/c1-7(12)8-4-3-5-9-10(8)13-6-14(2)11(9)15/h3-6,12H,1-2H3/b12-7+
InChIKeySLULHNCHRYPQNT-KPKJPENVSA-N
XLogP1.32
TPSA58.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethanimidoyl-3-methylquinazolin-4-one?
The IUPAC name of 8-ethanimidoyl-3-methylquinazolin-4-one (CID 138478034) is 8-ethanimidoyl-3-methylquinazolin-4-one.
What is the SMILES notation for 8-ethanimidoyl-3-methylquinazolin-4-one?
The canonical SMILES for 8-ethanimidoyl-3-methylquinazolin-4-one is [H]/N=C(\C)c1cccc2c(=O)n(C)cnc12.
What is the InChIKey of 8-ethanimidoyl-3-methylquinazolin-4-one?
The InChIKey is SLULHNCHRYPQNT-KPKJPENVSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7(12)8-4-3-5-9-10(8)13-6-14(2)11(9)15/h3-6,12H,1-2H3/b12-7+.
What are the key properties of 8-ethanimidoyl-3-methylquinazolin-4-one?
8-ethanimidoyl-3-methylquinazolin-4-one has a molecular weight of 201.23 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethanimidoyl-3-methylquinazolin-4-one is sourced from PubChem (CID 138478034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).