(2-methylquinolin-8-yl) (E)-3-(4-fluorophenyl)prop-2-enoate

C19H14FNO2 — CID 2713097

IUPAC(2-methylquinolin-8-yl) (E)-3-(4-fluorophenyl)prop-2-enoate
SMILESCc1ccc2cccc(OC(=O)/C=C/c3ccc(F)cc3)c2n1
InChIInChI=1S/C19H14FNO2/c1-13-5-9-15-3-2-4-17(19(15)21-13)23-18(22)12-8-14-6-10-16(20)11-7-14/h2-12H,1H3/b12-8+
InChIKeyHMUATDBIDFUYEB-XYOKQWHBSA-N
MW307.32 g/mol
LogP4.30
Rot. Bonds3

About (2-methylquinolin-8-yl) (E)-3-(4-fluorophenyl)prop-2-enoate

(2-methylquinolin-8-yl) (E)-3-(4-fluorophenyl)prop-2-enoate (PubChem CID 2713097) has the molecular formula C19H14FNO2 and a molecular weight of 307.32 g/mol. Its IUPAC name is (2-methylquinolin-8-yl) (E)-3-(4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-methylquinolin-8-yl) (E)-3-(4-fluorophenyl)prop-2-enoate
PubChem CID2713097
Molecular FormulaC19H14FNO2
Molecular Weight307.32 g/mol
Exact Mass307.10
IUPAC Name(2-methylquinolin-8-yl) (E)-3-(4-fluorophenyl)prop-2-enoate
SMILESCc1ccc2cccc(OC(=O)/C=C/c3ccc(F)cc3)c2n1
InChIInChI=1S/C19H14FNO2/c1-13-5-9-15-3-2-4-17(19(15)21-13)23-18(22)12-8-14-6-10-16(20)11-7-14/h2-12H,1H3/b12-8+
InChIKeyHMUATDBIDFUYEB-XYOKQWHBSA-N
XLogP4.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide
CID 72685075
(2,3-dimethylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6232920
(2-methylquinolin-8-yl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 8898926
(2,4-dimethylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6128285
(4-methoxyphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 724777
(4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 1328070
(4-methoxyphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 724778
(2,4-dichlorophenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 918157
[(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 11726774
(2-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 19177201
naphthalen-1-yl 3-phenylprop-2-enoate
CID 788595
(4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 175109384

Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-8-yl) (E)-3-(4-fluorophenyl)prop-2-enoate?
The IUPAC name of (2-methylquinolin-8-yl) (E)-3-(4-fluorophenyl)prop-2-enoate (CID 2713097) is (2-methylquinolin-8-yl) (E)-3-(4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for (2-methylquinolin-8-yl) (E)-3-(4-fluorophenyl)prop-2-enoate?
The canonical SMILES for (2-methylquinolin-8-yl) (E)-3-(4-fluorophenyl)prop-2-enoate is Cc1ccc2cccc(OC(=O)/C=C/c3ccc(F)cc3)c2n1.
What is the InChIKey of (2-methylquinolin-8-yl) (E)-3-(4-fluorophenyl)prop-2-enoate?
The InChIKey is HMUATDBIDFUYEB-XYOKQWHBSA-N. The full InChI is InChI=1S/C19H14FNO2/c1-13-5-9-15-3-2-4-17(19(15)21-13)23-18(22)12-8-14-6-10-16(20)11-7-14/h2-12H,1H3/b12-8+.
What are the key properties of (2-methylquinolin-8-yl) (E)-3-(4-fluorophenyl)prop-2-enoate?
(2-methylquinolin-8-yl) (E)-3-(4-fluorophenyl)prop-2-enoate has a molecular weight of 307.32 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-8-yl) (E)-3-(4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 2713097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).