ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate

C13H15N3O2 — CID 13409713

IUPACethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate
SMILESCCO/C(C)=N/n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C13H15N3O2/c1-4-18-10(3)15-16-9(2)14-12-8-6-5-7-11(12)13(16)17/h5-8H,4H2,1-3H3/b15-10+
InChIKeyOTIAUNWXMYQJAA-XNTDXEJSSA-N
MW245.28 g/mol
LogP1.92
Rot. Bonds2

About ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate

ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate (PubChem CID 13409713) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate.

Molecular Properties

Compound Nameethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate
PubChem CID13409713
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Nameethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate
SMILESCCO/C(C)=N/n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C13H15N3O2/c1-4-18-10(3)15-16-9(2)14-12-8-6-5-7-11(12)13(16)17/h5-8H,4H2,1-3H3/b15-10+
InChIKeyOTIAUNWXMYQJAA-XNTDXEJSSA-N
XLogP1.92
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate 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

2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one
CID 6009700
ethyl (1Z)-N-(4-methyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)ethanimidate
CID 41089993
2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one
CID 4863812
2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one
CID 23937673
3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one
CID 5423325
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
2-[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide
CID 2694037
1-O-ethyl 7-O-methyl (2E)-2-(4-oxo-2-propan-2-ylquinazolin-3-yl)iminoheptanedioate
CID 10023991
2-(1-ethoxyethenyl)-3-methylquinazolin-4-one
CID 70298054
3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-methylquinazolin-4-one
CID 6508433
2-methyl-3-(2-methylbenzoyl)quinazolin-4-one
CID 69343372

Frequently Asked Questions

What is the IUPAC name of ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate?
The IUPAC name of ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate (CID 13409713) is ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate.
What is the SMILES notation for ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate?
The canonical SMILES for ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate is CCO/C(C)=N/n1c(C)nc2ccccc2c1=O.
What is the InChIKey of ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate?
The InChIKey is OTIAUNWXMYQJAA-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-4-18-10(3)15-16-9(2)14-12-8-6-5-7-11(12)13(16)17/h5-8H,4H2,1-3H3/b15-10+.
What are the key properties of ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate?
ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate has a molecular weight of 245.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate is sourced from PubChem (CID 13409713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).