4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzoic acid

C22H22N2O4 — CID 14969529

IUPAC4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C22H22N2O4/c25-20-10-9-15-3-1-2-4-19(15)24(20)18-11-13-23(14-12-18)21(26)16-5-7-17(8-6-16)22(27)28/h1-8,18H,9-14H2,(H,27,28)
InChIKeyVVJUKABKTYTLMN-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.97
Rot. Bonds3

About 4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzoic acid

4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzoic acid (PubChem CID 14969529) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzoic acid
PubChem CID14969529
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C22H22N2O4/c25-20-10-9-15-3-1-2-4-19(15)24(20)18-11-13-23(14-12-18)21(26)16-5-7-17(8-6-16)22(27)28/h1-8,18H,9-14H2,(H,27,28)
InChIKeyVVJUKABKTYTLMN-UHFFFAOYSA-N
XLogP2.97
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzoic acid?
The IUPAC name of 4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzoic acid (CID 14969529) is 4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzoic acid.
What is the SMILES notation for 4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzoic acid?
The canonical SMILES for 4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzoic acid is O=C(O)c1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1.
What is the InChIKey of 4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzoic acid?
The InChIKey is VVJUKABKTYTLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-20-10-9-15-3-1-2-4-19(15)24(20)18-11-13-23(14-12-18)21(26)16-5-7-17(8-6-16)22(27)28/h1-8,18H,9-14H2,(H,27,28).
What are the key properties of 4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzoic acid?
4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzoic acid has a molecular weight of 378.43 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzoic acid is sourced from PubChem (CID 14969529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).