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

C22H23NO3 — CID 10315808

IUPAC7-(4-phenylquinolin-2-yl)oxyheptanoic acid
SMILESO=C(O)CCCCCCOc1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H23NO3/c24-22(25)14-6-1-2-9-15-26-21-16-19(17-10-4-3-5-11-17)18-12-7-8-13-20(18)23-21/h3-5,7-8,10-13,16H,1-2,6,9,14-15H2,(H,24,25)
InChIKeyPHNKMPPFWKNSEZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.32
Rot. Bonds9

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

7-(4-phenylquinolin-2-yl)oxyheptanoic acid (PubChem CID 10315808) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 7-(4-phenylquinolin-2-yl)oxyheptanoic acid.

Molecular Properties

Compound Name7-(4-phenylquinolin-2-yl)oxyheptanoic acid
PubChem CID10315808
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name7-(4-phenylquinolin-2-yl)oxyheptanoic acid
SMILESO=C(O)CCCCCCOc1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H23NO3/c24-22(25)14-6-1-2-9-15-26-21-16-19(17-10-4-3-5-11-17)18-12-7-8-13-20(18)23-21/h3-5,7-8,10-13,16H,1-2,6,9,14-15H2,(H,24,25)
InChIKeyPHNKMPPFWKNSEZ-UHFFFAOYSA-N
XLogP5.32
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)oxyheptanoic acid?
The IUPAC name of 7-(4-phenylquinolin-2-yl)oxyheptanoic acid (CID 10315808) is 7-(4-phenylquinolin-2-yl)oxyheptanoic acid.
What is the SMILES notation for 7-(4-phenylquinolin-2-yl)oxyheptanoic acid?
The canonical SMILES for 7-(4-phenylquinolin-2-yl)oxyheptanoic acid is O=C(O)CCCCCCOc1cc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 7-(4-phenylquinolin-2-yl)oxyheptanoic acid?
The InChIKey is PHNKMPPFWKNSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c24-22(25)14-6-1-2-9-15-26-21-16-19(17-10-4-3-5-11-17)18-12-7-8-13-20(18)23-21/h3-5,7-8,10-13,16H,1-2,6,9,14-15H2,(H,24,25).
What are the key properties of 7-(4-phenylquinolin-2-yl)oxyheptanoic acid?
7-(4-phenylquinolin-2-yl)oxyheptanoic acid has a molecular weight of 349.43 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylquinolin-2-yl)oxyheptanoic acid is sourced from PubChem (CID 10315808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).