methyl 4-[(Z)-2-fluoro-3-quinolin-8-ylprop-1-enyl]benzoate

C20H16FNO2 — CID 134852842

IUPACmethyl 4-[(Z)-2-fluoro-3-quinolin-8-ylprop-1-enyl]benzoate
SMILESCOC(=O)c1ccc(/C=C(\F)Cc2cccc3cccnc23)cc1
InChIInChI=1S/C20H16FNO2/c1-24-20(23)16-9-7-14(8-10-16)12-18(21)13-17-5-2-4-15-6-3-11-22-19(15)17/h2-12H,13H2,1H3/b18-12-
InChIKeyFWQALBQJUJXCMT-PDGQHHTCSA-N
MW321.35 g/mol
LogP4.57
Rot. Bonds4

About methyl 4-[(Z)-2-fluoro-3-quinolin-8-ylprop-1-enyl]benzoate

methyl 4-[(Z)-2-fluoro-3-quinolin-8-ylprop-1-enyl]benzoate (PubChem CID 134852842) has the molecular formula C20H16FNO2 and a molecular weight of 321.35 g/mol. Its IUPAC name is methyl 4-[(Z)-2-fluoro-3-quinolin-8-ylprop-1-enyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(Z)-2-fluoro-3-quinolin-8-ylprop-1-enyl]benzoate
PubChem CID134852842
Molecular FormulaC20H16FNO2
Molecular Weight321.35 g/mol
Exact Mass321.12
IUPAC Namemethyl 4-[(Z)-2-fluoro-3-quinolin-8-ylprop-1-enyl]benzoate
SMILESCOC(=O)c1ccc(/C=C(\F)Cc2cccc3cccnc23)cc1
InChIInChI=1S/C20H16FNO2/c1-24-20(23)16-9-7-14(8-10-16)12-18(21)13-17-5-2-4-15-6-3-11-22-19(15)17/h2-12H,13H2,1H3/b18-12-
InChIKeyFWQALBQJUJXCMT-PDGQHHTCSA-N
XLogP4.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Quinolinecarboxylic acid
CID 10243
Neocinchophen
CID 68089
Methyl quinoline-6-carboxylate
CID 736812
2-(Pyridin-4-yl)quinoline-4-carboxylic acid
CID 26587
8-Quinolinecarboxylic acid
CID 66582
Cinchoninic acid, 2-(3-pyridyl)-
CID 24067
Methyl isoquinoline-5-carboxylate
CID 313259
Methyl 3-isoquinolinecarboxylate
CID 725374
2-(2,4-Dimethylphenyl)quinoline-4-carboxylic acid
CID 230602
Ethyl 4-((4-(diethylamino)phenyl)amino)-6-methylquinoline-3-carboxylate
CID 1568449
Methyl 6-pyridin-3-yl-2-naphthoate
CID 11594132
3-Methyl quinoline, 8b
CID 44472985

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(Z)-2-fluoro-3-quinolin-8-ylprop-1-enyl]benzoate?
The IUPAC name of methyl 4-[(Z)-2-fluoro-3-quinolin-8-ylprop-1-enyl]benzoate (CID 134852842) is methyl 4-[(Z)-2-fluoro-3-quinolin-8-ylprop-1-enyl]benzoate.
What is the SMILES notation for methyl 4-[(Z)-2-fluoro-3-quinolin-8-ylprop-1-enyl]benzoate?
The canonical SMILES for methyl 4-[(Z)-2-fluoro-3-quinolin-8-ylprop-1-enyl]benzoate is COC(=O)c1ccc(/C=C(\F)Cc2cccc3cccnc23)cc1.
What is the InChIKey of methyl 4-[(Z)-2-fluoro-3-quinolin-8-ylprop-1-enyl]benzoate?
The InChIKey is FWQALBQJUJXCMT-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H16FNO2/c1-24-20(23)16-9-7-14(8-10-16)12-18(21)13-17-5-2-4-15-6-3-11-22-19(15)17/h2-12H,13H2,1H3/b18-12-.
What are the key properties of methyl 4-[(Z)-2-fluoro-3-quinolin-8-ylprop-1-enyl]benzoate?
methyl 4-[(Z)-2-fluoro-3-quinolin-8-ylprop-1-enyl]benzoate has a molecular weight of 321.35 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(Z)-2-fluoro-3-quinolin-8-ylprop-1-enyl]benzoate is sourced from PubChem (CID 134852842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).