7-(4-phenylquinolin-2-yl)heptanoic acid

C22H23NO2 — CID 10065423

IUPAC7-(4-phenylquinolin-2-yl)heptanoic acid
SMILESO=C(O)CCCCCCc1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H23NO2/c24-22(25)15-7-2-1-6-12-18-16-20(17-10-4-3-5-11-17)19-13-8-9-14-21(19)23-18/h3-5,8-11,13-14,16H,1-2,6-7,12,15H2,(H,24,25)
InChIKeyVICORJDIMGHZSY-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.48
Rot. Bonds8

About 7-(4-phenylquinolin-2-yl)heptanoic acid

7-(4-phenylquinolin-2-yl)heptanoic acid (PubChem CID 10065423) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 7-(4-phenylquinolin-2-yl)heptanoic acid.

Molecular Properties

Compound Name7-(4-phenylquinolin-2-yl)heptanoic acid
PubChem CID10065423
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name7-(4-phenylquinolin-2-yl)heptanoic acid
SMILESO=C(O)CCCCCCc1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H23NO2/c24-22(25)15-7-2-1-6-12-18-16-20(17-10-4-3-5-11-17)19-13-8-9-14-21(19)23-18/h3-5,8-11,13-14,16H,1-2,6-7,12,15H2,(H,24,25)
InChIKeyVICORJDIMGHZSY-UHFFFAOYSA-N
XLogP5.48
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylquinolin-2-yl)heptanoic acid?
The IUPAC name of 7-(4-phenylquinolin-2-yl)heptanoic acid (CID 10065423) is 7-(4-phenylquinolin-2-yl)heptanoic acid.
What is the SMILES notation for 7-(4-phenylquinolin-2-yl)heptanoic acid?
The canonical SMILES for 7-(4-phenylquinolin-2-yl)heptanoic acid is O=C(O)CCCCCCc1cc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 7-(4-phenylquinolin-2-yl)heptanoic acid?
The InChIKey is VICORJDIMGHZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c24-22(25)15-7-2-1-6-12-18-16-20(17-10-4-3-5-11-17)19-13-8-9-14-21(19)23-18/h3-5,8-11,13-14,16H,1-2,6-7,12,15H2,(H,24,25).
What are the key properties of 7-(4-phenylquinolin-2-yl)heptanoic acid?
7-(4-phenylquinolin-2-yl)heptanoic acid has a molecular weight of 333.43 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylquinolin-2-yl)heptanoic acid is sourced from PubChem (CID 10065423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).