ethyl (2E)-2-cyano-2-(4-methyl-1H-quinolin-2-ylidene)acetate

C15H14N2O2 — CID 6175174

IUPACethyl (2E)-2-cyano-2-(4-methyl-1H-quinolin-2-ylidene)acetate
SMILESCCOC(=O)/C(C#N)=C1\C=C(C)c2ccccc2N1
InChIInChI=1S/C15H14N2O2/c1-3-19-15(18)12(9-16)14-8-10(2)11-6-4-5-7-13(11)17-14/h4-8,17H,3H2,1-2H3/b14-12+
InChIKeyXFUXTEFMKVJZLZ-WYMLVPIESA-N
MW254.29 g/mol
LogP2.86
Rot. Bonds2

About ethyl (2E)-2-cyano-2-(4-methyl-1H-quinolin-2-ylidene)acetate

ethyl (2E)-2-cyano-2-(4-methyl-1H-quinolin-2-ylidene)acetate (PubChem CID 6175174) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl (2E)-2-cyano-2-(4-methyl-1H-quinolin-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-cyano-2-(4-methyl-1H-quinolin-2-ylidene)acetate
PubChem CID6175174
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Nameethyl (2E)-2-cyano-2-(4-methyl-1H-quinolin-2-ylidene)acetate
SMILESCCOC(=O)/C(C#N)=C1\C=C(C)c2ccccc2N1
InChIInChI=1S/C15H14N2O2/c1-3-19-15(18)12(9-16)14-8-10(2)11-6-4-5-7-13(11)17-14/h4-8,17H,3H2,1-2H3/b14-12+
InChIKeyXFUXTEFMKVJZLZ-WYMLVPIESA-N
XLogP2.86
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E)-2-cyano-2-(1H-quinolin-2-ylidene)acetate
CID 5382690
ethyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate
CID 10587231
ethyl 2-(3H-1,3-benzothiazol-2-ylidene)-2-cyanoacetate
CID 78385752
ethyl 2-cyano-2-(1H-quinazolin-4-ylidene)acetate
CID 171134045
ethyl 2-[[2-(10H-acridin-9-ylidene)-2-cyanoacetyl]amino]prop-2-enoate
CID 139451593
ethyl 2-cyano-2-[4-(2-hydroxyphenyl)-1H-pyrimidin-6-ylidene]acetate
CID 110209112
ethyl 2-cyano-2-(3,4-dihydro-1H-quinazolin-2-ylidene)acetate
CID 3614355
CID 11130541
CID 11130541
ethyl (2Z)-2-cyano-2-(2-methylchromen-4-ylidene)acetate
CID 177497164
ethyl (2Z)-2-cyano-2-(2-phenylthiochromen-4-ylidene)acetate
CID 6048317
ethyl (2E)-2-cyano-2-(5-methyl-2-oxo-1H-indol-3-ylidene)acetate
CID 21159980
ethyl (2Z)-2-cyano-2-(5-methyl-3-oxoisoindol-1-ylidene)acetate
CID 10445120

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-cyano-2-(4-methyl-1H-quinolin-2-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-cyano-2-(4-methyl-1H-quinolin-2-ylidene)acetate (CID 6175174) is ethyl (2E)-2-cyano-2-(4-methyl-1H-quinolin-2-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-cyano-2-(4-methyl-1H-quinolin-2-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-cyano-2-(4-methyl-1H-quinolin-2-ylidene)acetate is CCOC(=O)/C(C#N)=C1\C=C(C)c2ccccc2N1.
What is the InChIKey of ethyl (2E)-2-cyano-2-(4-methyl-1H-quinolin-2-ylidene)acetate?
The InChIKey is XFUXTEFMKVJZLZ-WYMLVPIESA-N. The full InChI is InChI=1S/C15H14N2O2/c1-3-19-15(18)12(9-16)14-8-10(2)11-6-4-5-7-13(11)17-14/h4-8,17H,3H2,1-2H3/b14-12+.
What are the key properties of ethyl (2E)-2-cyano-2-(4-methyl-1H-quinolin-2-ylidene)acetate?
ethyl (2E)-2-cyano-2-(4-methyl-1H-quinolin-2-ylidene)acetate has a molecular weight of 254.29 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-cyano-2-(4-methyl-1H-quinolin-2-ylidene)acetate is sourced from PubChem (CID 6175174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).