6-[4-(4-chlorophenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoic acid

C23H24ClNO3 — CID 10069416

IUPAC6-[4-(4-chlorophenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoic acid
SMILESCC(C)(CCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1)C(=O)O
InChIInChI=1S/C23H24ClNO3/c1-23(2,22(26)27)13-5-6-14-28-21-15-19(16-9-11-17(24)12-10-16)18-7-3-4-8-20(18)25-21/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,26,27)
InChIKeyRULNTDJSPGXBRQ-UHFFFAOYSA-N
MW397.90 g/mol
LogP6.22
Rot. Bonds8

About 6-[4-(4-chlorophenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoic acid

6-[4-(4-chlorophenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoic acid (PubChem CID 10069416) has the molecular formula C23H24ClNO3 and a molecular weight of 397.90 g/mol. Its IUPAC name is 6-[4-(4-chlorophenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[4-(4-chlorophenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoic acid
PubChem CID10069416
Molecular FormulaC23H24ClNO3
Molecular Weight397.90 g/mol
Exact Mass397.14
IUPAC Name6-[4-(4-chlorophenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoic acid
SMILESCC(C)(CCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1)C(=O)O
InChIInChI=1S/C23H24ClNO3/c1-23(2,22(26)27)13-5-6-14-28-21-15-19(16-9-11-17(24)12-10-16)18-7-3-4-8-20(18)25-21/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,26,27)
InChIKeyRULNTDJSPGXBRQ-UHFFFAOYSA-N
XLogP6.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.90
LogP ≤ 56.22
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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Related Compounds

N-[3-(7-Chloro-quinolin-2-ylmethoxy)-phenyl]-2,2-diethyl-succinamic acid
CID 22416877
2-(4-Propoxyphenyl)quinoline-4-carboxylic acid
CID 1913233
6-Chloro-2-(4-propoxyphenyl)quinoline-4-carboxylic acid
CID 1746237
6-(4,6-Diphenyl-pyridin-2-yloxy)-2-methyl-hexanoic acid
CID 9976757
6-[6-(2-Chloro-phenyl)-4-phenyl-pyridin-2-yloxy]-2-methyl-hexanoic acid
CID 9978895
6-[4-(4-Amino-phenyl)-quinolin-2-yloxy]-2,2-dimethyl-hexanoic acid
CID 9999718
6-[4-(4-Chloro-phenyl)-6-phenyl-pyridin-2-yloxy]-2-methyl-hexanoic acid
CID 10001576
4-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]butanoic acid
CID 10019718
6-[(4-Phenyl-2-quinolyl)oxy]hexanoic acid
CID 10019853
2,2-Dimethyl-6-[(4,6-diphenyl-2-pyridyl)oxy]hexanoic acid
CID 10023244
6-[4-(3-Chloro-phenyl)-6-phenyl-pyridin-2-yloxy]-2-methyl-hexanoic acid
CID 10047140
2-Methyl-6-(6-phenyl-4-p-tolyl-pyridin-2-yloxy)-hexanoic acid
CID 10091738

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoic acid?
The IUPAC name of 6-[4-(4-chlorophenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoic acid (CID 10069416) is 6-[4-(4-chlorophenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoic acid.
What is the SMILES notation for 6-[4-(4-chlorophenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoic acid?
The canonical SMILES for 6-[4-(4-chlorophenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoic acid is CC(C)(CCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1)C(=O)O.
What is the InChIKey of 6-[4-(4-chlorophenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoic acid?
The InChIKey is RULNTDJSPGXBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO3/c1-23(2,22(26)27)13-5-6-14-28-21-15-19(16-9-11-17(24)12-10-16)18-7-3-4-8-20(18)25-21/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,26,27).
What are the key properties of 6-[4-(4-chlorophenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoic acid?
6-[4-(4-chlorophenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoic acid has a molecular weight of 397.90 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-chlorophenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoic acid is sourced from PubChem (CID 10069416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).