2-methyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid

C22H23NO3 — CID 10247237

IUPAC2-methyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid
SMILESCC(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O
InChIInChI=1S/C22H23NO3/c1-16(22(24)25)9-7-8-14-26-21-15-19(17-10-3-2-4-11-17)18-12-5-6-13-20(18)23-21/h2-6,10-13,15-16H,7-9,14H2,1H3,(H,24,25)
InChIKeyFCBKQQQUBFIBRZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.17
Rot. Bonds8

About 2-methyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid

2-methyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid (PubChem CID 10247237) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-methyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid.

Molecular Properties

Compound Name2-methyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid
PubChem CID10247237
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name2-methyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid
SMILESCC(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O
InChIInChI=1S/C22H23NO3/c1-16(22(24)25)9-7-8-14-26-21-15-19(17-10-3-2-4-11-17)18-12-5-6-13-20(18)23-21/h2-6,10-13,15-16H,7-9,14H2,1H3,(H,24,25)
InChIKeyFCBKQQQUBFIBRZ-UHFFFAOYSA-N
XLogP5.17
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.17
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 2-methyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid?
The IUPAC name of 2-methyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid (CID 10247237) is 2-methyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid.
What is the SMILES notation for 2-methyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid?
The canonical SMILES for 2-methyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid is CC(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O.
What is the InChIKey of 2-methyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid?
The InChIKey is FCBKQQQUBFIBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-16(22(24)25)9-7-8-14-26-21-15-19(17-10-3-2-4-11-17)18-12-5-6-13-20(18)23-21/h2-6,10-13,15-16H,7-9,14H2,1H3,(H,24,25).
What are the key properties of 2-methyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid?
2-methyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid has a molecular weight of 349.43 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid is sourced from PubChem (CID 10247237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).