1-(3,4-difluorophenyl)-3-quinolin-4-ylprop-2-en-1-one

C18H11F2NO — CID 71423090

IUPAC1-(3,4-difluorophenyl)-3-quinolin-4-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccnc2ccccc12)c1ccc(F)c(F)c1
InChIInChI=1S/C18H11F2NO/c19-15-7-5-13(11-16(15)20)18(22)8-6-12-9-10-21-17-4-2-1-3-14(12)17/h1-11H
InChIKeyCYAMGPKLFSKWFI-UHFFFAOYSA-N
MW295.29 g/mol
LogP4.41
Rot. Bonds3

About 1-(3,4-difluorophenyl)-3-quinolin-4-ylprop-2-en-1-one

1-(3,4-difluorophenyl)-3-quinolin-4-ylprop-2-en-1-one (PubChem CID 71423090) has the molecular formula C18H11F2NO and a molecular weight of 295.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-quinolin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-quinolin-4-ylprop-2-en-1-one
PubChem CID71423090
Molecular FormulaC18H11F2NO
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name1-(3,4-difluorophenyl)-3-quinolin-4-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccnc2ccccc12)c1ccc(F)c(F)c1
InChIInChI=1S/C18H11F2NO/c19-15-7-5-13(11-16(15)20)18(22)8-6-12-9-10-21-17-4-2-1-3-14(12)17/h1-11H
InChIKeyCYAMGPKLFSKWFI-UHFFFAOYSA-N
XLogP4.41
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(4-propan-2-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 19557372
(3,4-difluorophenyl)-quinolin-4-ylmethanone
CID 86811172
(E)-1-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 19560920
(E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one
CID 7945580
(E)-1-(4-imidazol-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 19541207
(Z)-3-quinolin-4-yl-1-thiophen-2-ylprop-2-en-1-one
CID 18532509
(E)-3-quinolin-4-yl-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 10383167
(E)-1-(1-methylpyrazol-3-yl)-3-quinolin-4-ylprop-2-en-1-one
CID 19565455
(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-quinolin-4-ylprop-2-en-1-one
CID 47081868
methyl 2-[(E)-3-(3,4-difluorophenyl)-3-oxoprop-1-enyl]benzoate
CID 9035738
(E)-3-quinolin-4-yl-1-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
CID 19567619
4-[(Z)-prop-1-enyl]quinoline
CID 89064507

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-quinolin-4-ylprop-2-en-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-3-quinolin-4-ylprop-2-en-1-one (CID 71423090) is 1-(3,4-difluorophenyl)-3-quinolin-4-ylprop-2-en-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-quinolin-4-ylprop-2-en-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-quinolin-4-ylprop-2-en-1-one is O=C(C=Cc1ccnc2ccccc12)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-quinolin-4-ylprop-2-en-1-one?
The InChIKey is CYAMGPKLFSKWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2NO/c19-15-7-5-13(11-16(15)20)18(22)8-6-12-9-10-21-17-4-2-1-3-14(12)17/h1-11H.
What are the key properties of 1-(3,4-difluorophenyl)-3-quinolin-4-ylprop-2-en-1-one?
1-(3,4-difluorophenyl)-3-quinolin-4-ylprop-2-en-1-one has a molecular weight of 295.29 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-quinolin-4-ylprop-2-en-1-one is sourced from PubChem (CID 71423090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).