methyl N-(2-oxo-3,4-dihydroquinazolin-1-yl)ethanimidate

C11H13N3O2 — CID 139774659

IUPACmethyl N-(2-oxo-3,4-dihydroquinazolin-1-yl)ethanimidate
SMILESCOC(C)=NN1C(=O)NCc2ccccc21
InChIInChI=1S/C11H13N3O2/c1-8(16-2)13-14-10-6-4-3-5-9(10)7-12-11(14)15/h3-6H,7H2,1-2H3,(H,12,15)
InChIKeyRAUWKXMSZBVSFQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.70
Rot. Bonds1

About methyl N-(2-oxo-3,4-dihydroquinazolin-1-yl)ethanimidate

methyl N-(2-oxo-3,4-dihydroquinazolin-1-yl)ethanimidate (PubChem CID 139774659) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl N-(2-oxo-3,4-dihydroquinazolin-1-yl)ethanimidate.

Molecular Properties

Compound Namemethyl N-(2-oxo-3,4-dihydroquinazolin-1-yl)ethanimidate
PubChem CID139774659
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namemethyl N-(2-oxo-3,4-dihydroquinazolin-1-yl)ethanimidate
SMILESCOC(C)=NN1C(=O)NCc2ccccc21
InChIInChI=1S/C11H13N3O2/c1-8(16-2)13-14-10-6-4-3-5-9(10)7-12-11(14)15/h3-6H,7H2,1-2H3,(H,12,15)
InChIKeyRAUWKXMSZBVSFQ-UHFFFAOYSA-N
XLogP1.70
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-oxo-3,4-dihydroquinazolin-1-yl)ethanimidate?
The IUPAC name of methyl N-(2-oxo-3,4-dihydroquinazolin-1-yl)ethanimidate (CID 139774659) is methyl N-(2-oxo-3,4-dihydroquinazolin-1-yl)ethanimidate.
What is the SMILES notation for methyl N-(2-oxo-3,4-dihydroquinazolin-1-yl)ethanimidate?
The canonical SMILES for methyl N-(2-oxo-3,4-dihydroquinazolin-1-yl)ethanimidate is COC(C)=NN1C(=O)NCc2ccccc21.
What is the InChIKey of methyl N-(2-oxo-3,4-dihydroquinazolin-1-yl)ethanimidate?
The InChIKey is RAUWKXMSZBVSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8(16-2)13-14-10-6-4-3-5-9(10)7-12-11(14)15/h3-6H,7H2,1-2H3,(H,12,15).
What are the key properties of methyl N-(2-oxo-3,4-dihydroquinazolin-1-yl)ethanimidate?
methyl N-(2-oxo-3,4-dihydroquinazolin-1-yl)ethanimidate has a molecular weight of 219.24 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-oxo-3,4-dihydroquinazolin-1-yl)ethanimidate is sourced from PubChem (CID 139774659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).