3-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one

C18H17N3O2 — CID 6906266

IUPAC3-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCCOc1ccccc1/C=N/n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C18H17N3O2/c1-3-23-17-11-7-4-8-14(17)12-19-21-13(2)20-16-10-6-5-9-15(16)18(21)22/h4-12H,3H2,1-2H3/b19-12+
InChIKeyGBGCQZUGBYYBHX-XDHOZWIPSA-N
MW307.35 g/mol
LogP2.99
Rot. Bonds4

About 3-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one

3-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 6906266) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID6906266
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCCOc1ccccc1/C=N/n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C18H17N3O2/c1-3-23-17-11-7-4-8-14(17)12-19-21-13(2)20-16-10-6-5-9-15(16)18(21)22/h4-12H,3H2,1-2H3/b19-12+
InChIKeyGBGCQZUGBYYBHX-XDHOZWIPSA-N
XLogP2.99
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one (CID 6906266) is 3-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one is CCOc1ccccc1/C=N/n1c(C)nc2ccccc2c1=O.
What is the InChIKey of 3-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is GBGCQZUGBYYBHX-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-3-23-17-11-7-4-8-14(17)12-19-21-13(2)20-16-10-6-5-9-15(16)18(21)22/h4-12H,3H2,1-2H3/b19-12+.
What are the key properties of 3-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
3-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 307.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 6906266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).