ethyl (E)-2-cyano-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enoate

C19H19N3O3 — CID 921219

IUPACethyl (E)-2-cyano-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C/c1cc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C19H19N3O3/c1-2-25-19(23)16(13-20)12-15-11-14-5-3-4-6-17(14)21-18(15)22-7-9-24-10-8-22/h3-6,11-12H,2,7-10H2,1H3/b16-12+
InChIKeyPJGFJPMNTNDAEA-FOWTUZBSSA-N
MW337.38 g/mol
LogP2.54
Rot. Bonds4

About ethyl (E)-2-cyano-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enoate

ethyl (E)-2-cyano-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enoate (PubChem CID 921219) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl (E)-2-cyano-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-cyano-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enoate
PubChem CID921219
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Nameethyl (E)-2-cyano-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C/c1cc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C19H19N3O3/c1-2-25-19(23)16(13-20)12-15-11-14-5-3-4-6-17(14)21-18(15)22-7-9-24-10-8-22/h3-6,11-12H,2,7-10H2,1H3/b16-12+
InChIKeyPJGFJPMNTNDAEA-FOWTUZBSSA-N
XLogP2.54
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

8-Methyl-2-morpholinoquinoline-3-carbonitrile
CID 865258
6,8-Dimethyl-2-morpholin-4-yl-quinoline-3-carbonitrile
CID 865268
2-(2-Morpholin-4-yl-quinolin-3-ylmethylene)-malononitrile
CID 921753
4-{[8-methyl-2-(4-morpholinyl)-3-quinolinyl]methylene}-2-phenyl-1,3-oxazol-5(4H)-one
CID 1327487
2,6-Dimethyl-4-(4-methylquinolin-2-yl)morpholine
CID 5070263
4-Methyl-2-morpholinoquinoline
CID 812365
2-Morpholin-4-yl-quinoline-4-carbonitrile
CID 764701
2-Morpholinoquinoline
CID 3771305
4-{[7-methyl-2-(4-morpholinyl)-3-quinolinyl]methylene}-2-phenyl-1,3-oxazol-5(4H)-one
CID 1325807
2,6-Dimethyl-4-(4-phenyl-2-quinolinyl)morpholine
CID 3276442
2-(2,6-Dimethylmorpholino)-3-phenylquinoline
CID 3816730
(E)-2-cyano-N-(4-ethylphenyl)-3-(7-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enamide
CID 5688097

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-cyano-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-2-cyano-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enoate (CID 921219) is ethyl (E)-2-cyano-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-2-cyano-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-2-cyano-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enoate is CCOC(=O)/C(C#N)=C/c1cc2ccccc2nc1N1CCOCC1.
What is the InChIKey of ethyl (E)-2-cyano-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enoate?
The InChIKey is PJGFJPMNTNDAEA-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-25-19(23)16(13-20)12-15-11-14-5-3-4-6-17(14)21-18(15)22-7-9-24-10-8-22/h3-6,11-12H,2,7-10H2,1H3/b16-12+.
What are the key properties of ethyl (E)-2-cyano-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enoate?
ethyl (E)-2-cyano-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enoate has a molecular weight of 337.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-cyano-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enoate is sourced from PubChem (CID 921219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).