ethyl quinazoline-2-carboximidate

C11H11N3O — CID 151326271

IUPACethyl quinazoline-2-carboximidate
SMILES[H]/N=C(\OCC)c1ncc2ccccc2n1
InChIInChI=1S/C11H11N3O/c1-2-15-10(12)11-13-7-8-5-3-4-6-9(8)14-11/h3-7,12H,2H2,1H3/b12-10-
InChIKeyOHMVTMAYAKIXPW-BENRWUELSA-N
MW201.23 g/mol
LogP1.99
Rot. Bonds2

About ethyl quinazoline-2-carboximidate

ethyl quinazoline-2-carboximidate (PubChem CID 151326271) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is ethyl quinazoline-2-carboximidate.

Molecular Properties

Compound Nameethyl quinazoline-2-carboximidate
PubChem CID151326271
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Nameethyl quinazoline-2-carboximidate
SMILES[H]/N=C(\OCC)c1ncc2ccccc2n1
InChIInChI=1S/C11H11N3O/c1-2-15-10(12)11-13-7-8-5-3-4-6-9(8)14-11/h3-7,12H,2H2,1H3/b12-10-
InChIKeyOHMVTMAYAKIXPW-BENRWUELSA-N
XLogP1.99
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 ethyl quinazoline-2-carboximidate?
The IUPAC name of ethyl quinazoline-2-carboximidate (CID 151326271) is ethyl quinazoline-2-carboximidate.
What is the SMILES notation for ethyl quinazoline-2-carboximidate?
The canonical SMILES for ethyl quinazoline-2-carboximidate is [H]/N=C(\OCC)c1ncc2ccccc2n1.
What is the InChIKey of ethyl quinazoline-2-carboximidate?
The InChIKey is OHMVTMAYAKIXPW-BENRWUELSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-15-10(12)11-13-7-8-5-3-4-6-9(8)14-11/h3-7,12H,2H2,1H3/b12-10-.
What are the key properties of ethyl quinazoline-2-carboximidate?
ethyl quinazoline-2-carboximidate has a molecular weight of 201.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl quinazoline-2-carboximidate is sourced from PubChem (CID 151326271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).