6-fluoro-3-pent-4-enylquinazolin-2-one

C13H13FN2O — CID 156703629

IUPAC6-fluoro-3-pent-4-enylquinazolin-2-one
SMILESC=CCCCn1cc2cc(F)ccc2nc1=O
InChIInChI=1S/C13H13FN2O/c1-2-3-4-7-16-9-10-8-11(14)5-6-12(10)15-13(16)17/h2,5-6,8-9H,1,3-4,7H2
InChIKeyBQIFBAGXSHAFRO-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.50
Rot. Bonds4

About 6-fluoro-3-pent-4-enylquinazolin-2-one

6-fluoro-3-pent-4-enylquinazolin-2-one (PubChem CID 156703629) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 6-fluoro-3-pent-4-enylquinazolin-2-one.

Molecular Properties

Compound Name6-fluoro-3-pent-4-enylquinazolin-2-one
PubChem CID156703629
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name6-fluoro-3-pent-4-enylquinazolin-2-one
SMILESC=CCCCn1cc2cc(F)ccc2nc1=O
InChIInChI=1S/C13H13FN2O/c1-2-3-4-7-16-9-10-8-11(14)5-6-12(10)15-13(16)17/h2,5-6,8-9H,1,3-4,7H2
InChIKeyBQIFBAGXSHAFRO-UHFFFAOYSA-N
XLogP2.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-pent-4-enylquinazolin-2-one?
The IUPAC name of 6-fluoro-3-pent-4-enylquinazolin-2-one (CID 156703629) is 6-fluoro-3-pent-4-enylquinazolin-2-one.
What is the SMILES notation for 6-fluoro-3-pent-4-enylquinazolin-2-one?
The canonical SMILES for 6-fluoro-3-pent-4-enylquinazolin-2-one is C=CCCCn1cc2cc(F)ccc2nc1=O.
What is the InChIKey of 6-fluoro-3-pent-4-enylquinazolin-2-one?
The InChIKey is BQIFBAGXSHAFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-2-3-4-7-16-9-10-8-11(14)5-6-12(10)15-13(16)17/h2,5-6,8-9H,1,3-4,7H2.
What are the key properties of 6-fluoro-3-pent-4-enylquinazolin-2-one?
6-fluoro-3-pent-4-enylquinazolin-2-one has a molecular weight of 232.26 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-pent-4-enylquinazolin-2-one is sourced from PubChem (CID 156703629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).