1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one

C19H14FNO2 — CID 91941705

IUPAC1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one
SMILESCOc1nc2ccccc2cc1C=CC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H14FNO2/c1-23-19-15(12-14-4-2-3-5-17(14)21-19)8-11-18(22)13-6-9-16(20)10-7-13/h2-12H,1H3
InChIKeyGCVYBHYMFNDJNN-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.28
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one

1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one (PubChem CID 91941705) has the molecular formula C19H14FNO2 and a molecular weight of 307.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one
PubChem CID91941705
Molecular FormulaC19H14FNO2
Molecular Weight307.32 g/mol
Exact Mass307.10
IUPAC Name1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one
SMILESCOc1nc2ccccc2cc1C=CC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H14FNO2/c1-23-19-15(12-14-4-2-3-5-17(14)21-19)8-11-18(22)13-6-9-16(20)10-7-13/h2-12H,1H3
InChIKeyGCVYBHYMFNDJNN-UHFFFAOYSA-N
XLogP4.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 171935667
3-(2-methoxyquinolin-3-yl)-1-thiophen-3-ylprop-2-en-1-one
CID 91941475
(E)-3-(2-methoxyquinolin-3-yl)prop-2-enoate
CID 7042099
(E)-3-acridin-4-yl-1-(4-fluorophenyl)prop-2-en-1-one
CID 163359111
(E)-1-(3,5-dimethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)prop-2-en-1-one
CID 100818463
(E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 10935131
(E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 45257570
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
(E)-3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 8856238
(E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide
CID 170878117
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360
(E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 6262995

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one (CID 91941705) is 1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one is COc1nc2ccccc2cc1C=CC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one?
The InChIKey is GCVYBHYMFNDJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO2/c1-23-19-15(12-14-4-2-3-5-17(14)21-19)8-11-18(22)13-6-9-16(20)10-7-13/h2-12H,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one?
1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one has a molecular weight of 307.32 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one is sourced from PubChem (CID 91941705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).