cyanomethyl (E)-3-quinolin-8-ylprop-2-enoate

C14H10N2O2 — CID 16607642

IUPACcyanomethyl (E)-3-quinolin-8-ylprop-2-enoate
SMILESN#CCOC(=O)/C=C/c1cccc2cccnc12
InChIInChI=1S/C14H10N2O2/c15-8-10-18-13(17)7-6-12-4-1-3-11-5-2-9-16-14(11)12/h1-7,9H,10H2/b7-6+
InChIKeyXSPIRYLOHTZMCP-VOTSOKGWSA-N
MW238.25 g/mol
LogP2.31
Rot. Bonds3

About cyanomethyl (E)-3-quinolin-8-ylprop-2-enoate

cyanomethyl (E)-3-quinolin-8-ylprop-2-enoate (PubChem CID 16607642) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is cyanomethyl (E)-3-quinolin-8-ylprop-2-enoate.

Molecular Properties

Compound Namecyanomethyl (E)-3-quinolin-8-ylprop-2-enoate
PubChem CID16607642
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Namecyanomethyl (E)-3-quinolin-8-ylprop-2-enoate
SMILESN#CCOC(=O)/C=C/c1cccc2cccnc12
InChIInChI=1S/C14H10N2O2/c15-8-10-18-13(17)7-6-12-4-1-3-11-5-2-9-16-14(11)12/h1-7,9H,10H2/b7-6+
InChIKeyXSPIRYLOHTZMCP-VOTSOKGWSA-N
XLogP2.31
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,3-dimethyl-2-oxobutyl) (E)-3-quinolin-8-ylprop-2-enoate
CID 16607648
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607945
[2-(cyclopropylamino)-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607713
(1-amino-1-oxopropan-2-yl) (E)-3-quinolin-8-ylprop-2-enoate
CID 16608019
2-(3-chlorophenoxy)ethyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16617759
[2-(naphthalen-1-ylamino)-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607687
[2-(dibenzylamino)-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607788
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16607939
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 55562408
(3-chloro-1-benzothiophen-2-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 18286779
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16617741
[2-oxo-2-(2,3,5,6-tetrachloroanilino)ethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607830

Frequently Asked Questions

What is the IUPAC name of cyanomethyl (E)-3-quinolin-8-ylprop-2-enoate?
The IUPAC name of cyanomethyl (E)-3-quinolin-8-ylprop-2-enoate (CID 16607642) is cyanomethyl (E)-3-quinolin-8-ylprop-2-enoate.
What is the SMILES notation for cyanomethyl (E)-3-quinolin-8-ylprop-2-enoate?
The canonical SMILES for cyanomethyl (E)-3-quinolin-8-ylprop-2-enoate is N#CCOC(=O)/C=C/c1cccc2cccnc12.
What is the InChIKey of cyanomethyl (E)-3-quinolin-8-ylprop-2-enoate?
The InChIKey is XSPIRYLOHTZMCP-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-8-10-18-13(17)7-6-12-4-1-3-11-5-2-9-16-14(11)12/h1-7,9H,10H2/b7-6+.
What are the key properties of cyanomethyl (E)-3-quinolin-8-ylprop-2-enoate?
cyanomethyl (E)-3-quinolin-8-ylprop-2-enoate has a molecular weight of 238.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl (E)-3-quinolin-8-ylprop-2-enoate is sourced from PubChem (CID 16607642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).