methyl (2E,4E)-5-quinolin-2-ylpenta-2,4-dienoate

C15H13NO2 — CID 11139204

IUPACmethyl (2E,4E)-5-quinolin-2-ylpenta-2,4-dienoate
SMILESCOC(=O)/C=C/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C15H13NO2/c1-18-15(17)9-5-3-7-13-11-10-12-6-2-4-8-14(12)16-13/h2-11H,1H3/b7-3+,9-5+
InChIKeyHJHCEVASZGMWSN-DLYLGUBQSA-N
MW239.27 g/mol
LogP2.98
Rot. Bonds3

About methyl (2E,4E)-5-quinolin-2-ylpenta-2,4-dienoate

methyl (2E,4E)-5-quinolin-2-ylpenta-2,4-dienoate (PubChem CID 11139204) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl (2E,4E)-5-quinolin-2-ylpenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E)-5-quinolin-2-ylpenta-2,4-dienoate
PubChem CID11139204
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Namemethyl (2E,4E)-5-quinolin-2-ylpenta-2,4-dienoate
SMILESCOC(=O)/C=C/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C15H13NO2/c1-18-15(17)9-5-3-7-13-11-10-12-6-2-4-8-14(12)16-13/h2-11H,1H3/b7-3+,9-5+
InChIKeyHJHCEVASZGMWSN-DLYLGUBQSA-N
XLogP2.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methylquinoline
CID 7060
3-(2-Quinolinyl)-2-propenoic acid
CID 712919
2-Butylquinoline
CID 459597
2-Propylquinoline
CID 74166
methyl (E)-3-(3-quinolinyl)-2-propenoate
CID 1491214
Chimanine B
CID 6047558
(2E)-3-(quinolin-3-yl)prop-2-enoic acid
CID 1472291
2-Ethylquinoline
CID 137113
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate
CID 5866154
Methyl 2-propylquinoline-4-carboxylate
CID 841798
Methyl 2-methylquinolin-4-ylcarbamate
CID 3241038
4-(2-Quinolyl)but-3-en-2-one
CID 736420

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E)-5-quinolin-2-ylpenta-2,4-dienoate?
The IUPAC name of methyl (2E,4E)-5-quinolin-2-ylpenta-2,4-dienoate (CID 11139204) is methyl (2E,4E)-5-quinolin-2-ylpenta-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E)-5-quinolin-2-ylpenta-2,4-dienoate?
The canonical SMILES for methyl (2E,4E)-5-quinolin-2-ylpenta-2,4-dienoate is COC(=O)/C=C/C=C/c1ccc2ccccc2n1.
What is the InChIKey of methyl (2E,4E)-5-quinolin-2-ylpenta-2,4-dienoate?
The InChIKey is HJHCEVASZGMWSN-DLYLGUBQSA-N. The full InChI is InChI=1S/C15H13NO2/c1-18-15(17)9-5-3-7-13-11-10-12-6-2-4-8-14(12)16-13/h2-11H,1H3/b7-3+,9-5+.
What are the key properties of methyl (2E,4E)-5-quinolin-2-ylpenta-2,4-dienoate?
methyl (2E,4E)-5-quinolin-2-ylpenta-2,4-dienoate has a molecular weight of 239.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E)-5-quinolin-2-ylpenta-2,4-dienoate is sourced from PubChem (CID 11139204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).