4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)anilino]-4-oxobutanoic acid

C20H20N2O4 — CID 2984250

IUPAC4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)anilino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C20H20N2O4/c23-18(11-12-19(24)25)21-16-9-7-15(8-10-16)20(26)22-13-3-5-14-4-1-2-6-17(14)22/h1-2,4,6-10H,3,5,11-13H2,(H,21,23)(H,24,25)
InChIKeyABPYPSMBOBFRRC-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.08
Rot. Bonds5

About 4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)anilino]-4-oxobutanoic acid

4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)anilino]-4-oxobutanoic acid (PubChem CID 2984250) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)anilino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)anilino]-4-oxobutanoic acid
PubChem CID2984250
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)anilino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C20H20N2O4/c23-18(11-12-19(24)25)21-16-9-7-15(8-10-16)20(26)22-13-3-5-14-4-1-2-6-17(14)22/h1-2,4,6-10H,3,5,11-13H2,(H,21,23)(H,24,25)
InChIKeyABPYPSMBOBFRRC-UHFFFAOYSA-N
XLogP3.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)anilino]-4-oxobutanoic acid?
The IUPAC name of 4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)anilino]-4-oxobutanoic acid (CID 2984250) is 4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)anilino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)anilino]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)anilino]-4-oxobutanoic acid is O=C(O)CCC(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)anilino]-4-oxobutanoic acid?
The InChIKey is ABPYPSMBOBFRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18(11-12-19(24)25)21-16-9-7-15(8-10-16)20(26)22-13-3-5-14-4-1-2-6-17(14)22/h1-2,4,6-10H,3,5,11-13H2,(H,21,23)(H,24,25).
What are the key properties of 4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)anilino]-4-oxobutanoic acid?
4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)anilino]-4-oxobutanoic acid has a molecular weight of 352.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)anilino]-4-oxobutanoic acid is sourced from PubChem (CID 2984250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).