4-amino-3-prop-2-enylquinazolin-2-one

C11H11N3O — CID 14271361

IUPAC4-amino-3-prop-2-enylquinazolin-2-one
SMILESC=CCn1c(N)c2ccccc2nc1=O
InChIInChI=1S/C11H11N3O/c1-2-7-14-10(12)8-5-3-4-6-9(8)13-11(14)15/h2-6H,1,7,12H2
InChIKeyCQUIIWXHVONSSY-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.16
Rot. Bonds2

About 4-amino-3-prop-2-enylquinazolin-2-one

4-amino-3-prop-2-enylquinazolin-2-one (PubChem CID 14271361) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-amino-3-prop-2-enylquinazolin-2-one.

Molecular Properties

Compound Name4-amino-3-prop-2-enylquinazolin-2-one
PubChem CID14271361
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-amino-3-prop-2-enylquinazolin-2-one
SMILESC=CCn1c(N)c2ccccc2nc1=O
InChIInChI=1S/C11H11N3O/c1-2-7-14-10(12)8-5-3-4-6-9(8)13-11(14)15/h2-6H,1,7,12H2
InChIKeyCQUIIWXHVONSSY-UHFFFAOYSA-N
XLogP1.16
TPSA60.91 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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-prop-2-enylquinazolin-2-one?
The IUPAC name of 4-amino-3-prop-2-enylquinazolin-2-one (CID 14271361) is 4-amino-3-prop-2-enylquinazolin-2-one.
What is the SMILES notation for 4-amino-3-prop-2-enylquinazolin-2-one?
The canonical SMILES for 4-amino-3-prop-2-enylquinazolin-2-one is C=CCn1c(N)c2ccccc2nc1=O.
What is the InChIKey of 4-amino-3-prop-2-enylquinazolin-2-one?
The InChIKey is CQUIIWXHVONSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-7-14-10(12)8-5-3-4-6-9(8)13-11(14)15/h2-6H,1,7,12H2.
What are the key properties of 4-amino-3-prop-2-enylquinazolin-2-one?
4-amino-3-prop-2-enylquinazolin-2-one has a molecular weight of 201.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-prop-2-enylquinazolin-2-one is sourced from PubChem (CID 14271361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).