4-[2,5-dioxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid

C24H21NO4 — CID 23743963

IUPAC4-[2,5-dioxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid
SMILESO=C1CCCC2=C1C(/C=C/c1ccccc1)CC(=O)N2c1ccc(C(=O)O)cc1
InChIInChI=1S/C24H21NO4/c26-21-8-4-7-20-23(21)18(10-9-16-5-2-1-3-6-16)15-22(27)25(20)19-13-11-17(12-14-19)24(28)29/h1-3,5-6,9-14,18H,4,7-8,15H2,(H,28,29)/b10-9+
InChIKeyLKVUMYMNHYXERP-MDZDMXLPSA-N
MW387.44 g/mol
LogP4.46
Rot. Bonds4

About 4-[2,5-dioxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid

4-[2,5-dioxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid (PubChem CID 23743963) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[2,5-dioxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[2,5-dioxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid
PubChem CID23743963
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name4-[2,5-dioxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid
SMILESO=C1CCCC2=C1C(/C=C/c1ccccc1)CC(=O)N2c1ccc(C(=O)O)cc1
InChIInChI=1S/C24H21NO4/c26-21-8-4-7-20-23(21)18(10-9-16-5-2-1-3-6-16)15-22(27)25(20)19-13-11-17(12-14-19)24(28)29/h1-3,5-6,9-14,18H,4,7-8,15H2,(H,28,29)/b10-9+
InChIKeyLKVUMYMNHYXERP-MDZDMXLPSA-N
XLogP4.46
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dioxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid?
The IUPAC name of 4-[2,5-dioxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid (CID 23743963) is 4-[2,5-dioxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid.
What is the SMILES notation for 4-[2,5-dioxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid?
The canonical SMILES for 4-[2,5-dioxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid is O=C1CCCC2=C1C(/C=C/c1ccccc1)CC(=O)N2c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2,5-dioxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid?
The InChIKey is LKVUMYMNHYXERP-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H21NO4/c26-21-8-4-7-20-23(21)18(10-9-16-5-2-1-3-6-16)15-22(27)25(20)19-13-11-17(12-14-19)24(28)29/h1-3,5-6,9-14,18H,4,7-8,15H2,(H,28,29)/b10-9+.
What are the key properties of 4-[2,5-dioxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid?
4-[2,5-dioxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid has a molecular weight of 387.44 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dioxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid is sourced from PubChem (CID 23743963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).