methyl 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoate

C19H15NO3 — CID 26366920

IUPACmethyl 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoate
SMILESCOC(=O)c1ccc(/C=C/c2cc(=O)c3ccccc3[nH]2)cc1
InChIInChI=1S/C19H15NO3/c1-23-19(22)14-9-6-13(7-10-14)8-11-15-12-18(21)16-4-2-3-5-17(16)20-15/h2-12H,1H3,(H,20,21)/b11-8+
InChIKeyZIKAXCYMOPANGJ-DHZHZOJOSA-N
MW305.33 g/mol
LogP3.49
Rot. Bonds3

About methyl 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoate

methyl 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoate (PubChem CID 26366920) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoate
PubChem CID26366920
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Namemethyl 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoate
SMILESCOC(=O)c1ccc(/C=C/c2cc(=O)c3ccccc3[nH]2)cc1
InChIInChI=1S/C19H15NO3/c1-23-19(22)14-9-6-13(7-10-14)8-11-15-12-18(21)16-4-2-3-5-17(16)20-15/h2-12H,1H3,(H,20,21)/b11-8+
InChIKeyZIKAXCYMOPANGJ-DHZHZOJOSA-N
XLogP3.49
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-(1H-pyrrol-2-yl)ethenyl]benzoate
CID 54117004
2-[2-(2-methylphenyl)ethenyl]-1H-quinolin-4-one
CID 2976580
2-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-1H-quinolin-4-one
CID 2965787
4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid
CID 59310556
2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinolin-4-one
CID 155542140
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
methyl 4-[2-[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 68977211
methyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate
CID 126753254
methyl 4-[(E)-2-[4,5-bis[(E)-2-(4-acetylphenyl)ethenyl]-2-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 135273845
methyl 2-[(4-oxo-1H-quinolin-2-yl)sulfamoyl]benzoate
CID 44623908
methyl 4-[2-(4-methylphenyl)-1H-indol-3-yl]benzoate
CID 15528443
methyl 4-[(Z)-2-(9H-carbazol-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate
CID 87893026

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoate?
The IUPAC name of methyl 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoate (CID 26366920) is methyl 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoate.
What is the SMILES notation for methyl 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoate?
The canonical SMILES for methyl 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoate is COC(=O)c1ccc(/C=C/c2cc(=O)c3ccccc3[nH]2)cc1.
What is the InChIKey of methyl 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoate?
The InChIKey is ZIKAXCYMOPANGJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H15NO3/c1-23-19(22)14-9-6-13(7-10-14)8-11-15-12-18(21)16-4-2-3-5-17(16)20-15/h2-12H,1H3,(H,20,21)/b11-8+.
What are the key properties of methyl 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoate?
methyl 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoate has a molecular weight of 305.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoate is sourced from PubChem (CID 26366920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).