1-(4-fluorophenyl)-6-prop-2-enoxy-3,4-dihydroquinolin-2-one

C18H16FNO2 — CID 19067886

IUPAC1-(4-fluorophenyl)-6-prop-2-enoxy-3,4-dihydroquinolin-2-one
SMILESC=CCOc1ccc2c(c1)CCC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C18H16FNO2/c1-2-11-22-16-8-9-17-13(12-16)3-10-18(21)20(17)15-6-4-14(19)5-7-15/h2,4-9,12H,1,3,10-11H2
InChIKeyOCQQNMVPKDQNGI-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.00
Rot. Bonds4

About 1-(4-fluorophenyl)-6-prop-2-enoxy-3,4-dihydroquinolin-2-one

1-(4-fluorophenyl)-6-prop-2-enoxy-3,4-dihydroquinolin-2-one (PubChem CID 19067886) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-prop-2-enoxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-prop-2-enoxy-3,4-dihydroquinolin-2-one
PubChem CID19067886
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name1-(4-fluorophenyl)-6-prop-2-enoxy-3,4-dihydroquinolin-2-one
SMILESC=CCOc1ccc2c(c1)CCC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C18H16FNO2/c1-2-11-22-16-8-9-17-13(12-16)3-10-18(21)20(17)15-6-4-14(19)5-7-15/h2,4-9,12H,1,3,10-11H2
InChIKeyOCQQNMVPKDQNGI-UHFFFAOYSA-N
XLogP4.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(4-fluorophenyl)-6-prop-2-enoxy-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-6-prop-2-enoxy-3,4-dihydroquinolin-2-one (CID 19067886) is 1-(4-fluorophenyl)-6-prop-2-enoxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-6-prop-2-enoxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-6-prop-2-enoxy-3,4-dihydroquinolin-2-one is C=CCOc1ccc2c(c1)CCC(=O)N2c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-6-prop-2-enoxy-3,4-dihydroquinolin-2-one?
The InChIKey is OCQQNMVPKDQNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-2-11-22-16-8-9-17-13(12-16)3-10-18(21)20(17)15-6-4-14(19)5-7-15/h2,4-9,12H,1,3,10-11H2.
What are the key properties of 1-(4-fluorophenyl)-6-prop-2-enoxy-3,4-dihydroquinolin-2-one?
1-(4-fluorophenyl)-6-prop-2-enoxy-3,4-dihydroquinolin-2-one has a molecular weight of 297.33 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-prop-2-enoxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 19067886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).