methyl 4-[2-(8-propanoyloxyquinolin-2-yl)ethenyl]benzoate

C22H19NO4 — CID 2949396

IUPACmethyl 4-[2-(8-propanoyloxyquinolin-2-yl)ethenyl]benzoate
SMILESCCC(=O)Oc1cccc2ccc(C=Cc3ccc(C(=O)OC)cc3)nc12
InChIInChI=1S/C22H19NO4/c1-3-20(24)27-19-6-4-5-16-12-14-18(23-21(16)19)13-9-15-7-10-17(11-8-15)22(25)26-2/h4-14H,3H2,1-2H3
InChIKeyFXIFHCQQCPIWGF-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.51
Rot. Bonds5

About methyl 4-[2-(8-propanoyloxyquinolin-2-yl)ethenyl]benzoate

methyl 4-[2-(8-propanoyloxyquinolin-2-yl)ethenyl]benzoate (PubChem CID 2949396) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 4-[2-(8-propanoyloxyquinolin-2-yl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(8-propanoyloxyquinolin-2-yl)ethenyl]benzoate
PubChem CID2949396
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Namemethyl 4-[2-(8-propanoyloxyquinolin-2-yl)ethenyl]benzoate
SMILESCCC(=O)Oc1cccc2ccc(C=Cc3ccc(C(=O)OC)cc3)nc12
InChIInChI=1S/C22H19NO4/c1-3-20(24)27-19-6-4-5-16-12-14-18(23-21(16)19)13-9-15-7-10-17(11-8-15)22(25)26-2/h4-14H,3H2,1-2H3
InChIKeyFXIFHCQQCPIWGF-UHFFFAOYSA-N
XLogP4.51
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] propanoate
CID 2935917
[2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate
CID 6475026
[2-[(E)-2-(1-methylpyridin-1-ium-3-yl)ethenyl]quinolin-8-yl] acetate iodide
CID 54612106
[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate
CID 3518506
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
2-[(Z)-2-(4-dodecoxyphenyl)ethenyl]-8-hexoxyquinoline
CID 11840448
[2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate
CID 5055101
methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate
CID 11129341
methyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate
CID 124635200
2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol chloride
CID 135534383
methyl 4-but-1-enylbenzoate
CID 69135322
methyl 4-[3-[(2-methylquinolin-8-yl)amino]-3-oxoprop-1-enyl]benzoate
CID 72685101

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(8-propanoyloxyquinolin-2-yl)ethenyl]benzoate?
The IUPAC name of methyl 4-[2-(8-propanoyloxyquinolin-2-yl)ethenyl]benzoate (CID 2949396) is methyl 4-[2-(8-propanoyloxyquinolin-2-yl)ethenyl]benzoate.
What is the SMILES notation for methyl 4-[2-(8-propanoyloxyquinolin-2-yl)ethenyl]benzoate?
The canonical SMILES for methyl 4-[2-(8-propanoyloxyquinolin-2-yl)ethenyl]benzoate is CCC(=O)Oc1cccc2ccc(C=Cc3ccc(C(=O)OC)cc3)nc12.
What is the InChIKey of methyl 4-[2-(8-propanoyloxyquinolin-2-yl)ethenyl]benzoate?
The InChIKey is FXIFHCQQCPIWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-3-20(24)27-19-6-4-5-16-12-14-18(23-21(16)19)13-9-15-7-10-17(11-8-15)22(25)26-2/h4-14H,3H2,1-2H3.
What are the key properties of methyl 4-[2-(8-propanoyloxyquinolin-2-yl)ethenyl]benzoate?
methyl 4-[2-(8-propanoyloxyquinolin-2-yl)ethenyl]benzoate has a molecular weight of 361.40 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(8-propanoyloxyquinolin-2-yl)ethenyl]benzoate is sourced from PubChem (CID 2949396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).