(2E,4E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexa-2,4-dienoic acid

C15H15NO3 — CID 116822529

IUPAC(2E,4E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexa-2,4-dienoic acid
SMILESC/C(=C\C=C\C(=O)O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H15NO3/c1-10(3-2-4-15(18)19)11-5-7-13-12(9-11)6-8-14(17)16-13/h2-5,7,9H,6,8H2,1H3,(H,16,17)(H,18,19)/b4-2+,10-3+
InChIKeyWGDXQLARYYUUNM-KABOMBJNSA-N
MW257.29 g/mol
LogP2.62
Rot. Bonds3

About (2E,4E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexa-2,4-dienoic acid

(2E,4E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexa-2,4-dienoic acid (PubChem CID 116822529) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2E,4E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexa-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexa-2,4-dienoic acid
PubChem CID116822529
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(2E,4E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexa-2,4-dienoic acid
SMILESC/C(=C\C=C\C(=O)O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H15NO3/c1-10(3-2-4-15(18)19)11-5-7-13-12(9-11)6-8-14(17)16-13/h2-5,7,9H,6,8H2,1H3,(H,16,17)(H,18,19)/b4-2+,10-3+
InChIKeyWGDXQLARYYUUNM-KABOMBJNSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(2E,4E)-5-(3-oxo-4H-1,4-benzoxazin-6-yl)hexa-2,4-dienoic acid
CID 116822556
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356
6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915723
6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 63049807
(E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pent-2-enoic acid
CID 116865917
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 70502328
6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 107979594
2-oxo-N-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103726730
2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid
CID 82485450
6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915592

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexa-2,4-dienoic acid?
The IUPAC name of (2E,4E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexa-2,4-dienoic acid (CID 116822529) is (2E,4E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexa-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexa-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexa-2,4-dienoic acid is C/C(=C\C=C\C(=O)O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of (2E,4E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexa-2,4-dienoic acid?
The InChIKey is WGDXQLARYYUUNM-KABOMBJNSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10(3-2-4-15(18)19)11-5-7-13-12(9-11)6-8-14(17)16-13/h2-5,7,9H,6,8H2,1H3,(H,16,17)(H,18,19)/b4-2+,10-3+.
What are the key properties of (2E,4E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexa-2,4-dienoic acid?
(2E,4E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexa-2,4-dienoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexa-2,4-dienoic acid is sourced from PubChem (CID 116822529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).