(Z)-4-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-ethylbut-2-enoic acid

C15H17NO4 — CID 81107878

IUPAC(Z)-4-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-ethylbut-2-enoic acid
SMILESCC/C(=C/Cn1c2c(ccc1=O)C(=O)CCC2)C(=O)O
InChIInChI=1S/C15H17NO4/c1-2-10(15(19)20)8-9-16-12-4-3-5-13(17)11(12)6-7-14(16)18/h6-8H,2-5,9H2,1H3,(H,19,20)/b10-8-
InChIKeyMLOZAHIYAAKEJG-NTMALXAHSA-N
MW275.30 g/mol
LogP1.79
Rot. Bonds4

About (Z)-4-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-ethylbut-2-enoic acid

(Z)-4-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-ethylbut-2-enoic acid (PubChem CID 81107878) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is (Z)-4-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-ethylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-ethylbut-2-enoic acid
PubChem CID81107878
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(Z)-4-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-ethylbut-2-enoic acid
SMILESCC/C(=C/Cn1c2c(ccc1=O)C(=O)CCC2)C(=O)O
InChIInChI=1S/C15H17NO4/c1-2-10(15(19)20)8-9-16-12-4-3-5-13(17)11(12)6-7-14(16)18/h6-8H,2-5,9H2,1H3,(H,19,20)/b10-8-
InChIKeyMLOZAHIYAAKEJG-NTMALXAHSA-N
XLogP1.79
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-4-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-ethylbut-2-enoic acid with MolForge

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Related Compounds

5,6,7,8-tetrahydro-1-(3-methyl-2-butenyl)-5-oxo-2(1H)-quinolinone
CID 10105297
1-hexyl-5,6,7,8-tetrahydro-5-oxo-2(1H)-quinolinone
CID 10422086
1-Butyl-7,8-dihydroquinoline-2,5(1H,6H)-dione, AldrichCPR
CID 19985996
1-Carboxymethyl-7,8-dihydro-2,5(1H,6H)-quinolinedione
CID 19985998
1-(2-methylprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 10398444
2,5-dioxo-1-propan-2-yl-7,8-dihydro-6H-quinoline-3-carboxylic acid
CID 10467232
1-Methyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
CID 30033736
1-Heptan-2-yl-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
CID 61727058
1-Hexyl-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
CID 64185257
1-Cyclohex-3-en-1-yl-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
CID 65680213
1-[(E)-but-2-enyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81104133
1-pent-4-enyl-7,8-dihydro-6H-quinoline-2,5-dione
CID 81104553

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-ethylbut-2-enoic acid?
The IUPAC name of (Z)-4-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-ethylbut-2-enoic acid (CID 81107878) is (Z)-4-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-ethylbut-2-enoic acid.
What is the SMILES notation for (Z)-4-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-ethylbut-2-enoic acid?
The canonical SMILES for (Z)-4-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-ethylbut-2-enoic acid is CC/C(=C/Cn1c2c(ccc1=O)C(=O)CCC2)C(=O)O.
What is the InChIKey of (Z)-4-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-ethylbut-2-enoic acid?
The InChIKey is MLOZAHIYAAKEJG-NTMALXAHSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-10(15(19)20)8-9-16-12-4-3-5-13(17)11(12)6-7-14(16)18/h6-8H,2-5,9H2,1H3,(H,19,20)/b10-8-.
What are the key properties of (Z)-4-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-ethylbut-2-enoic acid?
(Z)-4-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-ethylbut-2-enoic acid has a molecular weight of 275.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-ethylbut-2-enoic acid is sourced from PubChem (CID 81107878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).