6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoic acid

C21H20ClNO3 — CID 10451768

IUPAC6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoic acid
SMILESO=C(O)CCCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C21H20ClNO3/c22-16-11-9-15(10-12-16)18-14-20(23-19-7-4-3-6-17(18)19)26-13-5-1-2-8-21(24)25/h3-4,6-7,9-12,14H,1-2,5,8,13H2,(H,24,25)
InChIKeyNJPHOGPVYRFHDQ-UHFFFAOYSA-N
MW369.85 g/mol
LogP5.58
Rot. Bonds8

About 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoic acid

6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoic acid (PubChem CID 10451768) has the molecular formula C21H20ClNO3 and a molecular weight of 369.85 g/mol. Its IUPAC name is 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoic acid.

Molecular Properties

Compound Name6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoic acid
PubChem CID10451768
Molecular FormulaC21H20ClNO3
Molecular Weight369.85 g/mol
Exact Mass369.11
IUPAC Name6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoic acid
SMILESO=C(O)CCCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C21H20ClNO3/c22-16-11-9-15(10-12-16)18-14-20(23-19-7-4-3-6-17(18)19)26-13-5-1-2-8-21(24)25/h3-4,6-7,9-12,14H,1-2,5,8,13H2,(H,24,25)
InChIKeyNJPHOGPVYRFHDQ-UHFFFAOYSA-N
XLogP5.58
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.85
LogP ≤ 55.58
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

Veliflapon
CID 123723
6-Chloro-2-(4-propoxyphenyl)quinoline-4-carboxylic acid
CID 1746237
2-(4-Propoxyphenyl)quinoline-4-carboxylic acid
CID 1913233
{4-(4-Chloro-phenyl)-1-[4-(quinolin-2-ylmethoxy)-phenyl]-butylsulfanyl}-acetic acid
CID 9891815
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-(2-Fluoro-phenyl)-6-phenyl-pyridin-2-yloxy]-hexanoic acid
CID 9999755
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
6-{[4-(4-Aminophenyl)-6-phenyl-2-pyridyl]oxy}hexanoic acid
CID 10022413

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoic acid?
The IUPAC name of 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoic acid (CID 10451768) is 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoic acid.
What is the SMILES notation for 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoic acid?
The canonical SMILES for 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoic acid is O=C(O)CCCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoic acid?
The InChIKey is NJPHOGPVYRFHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3/c22-16-11-9-15(10-12-16)18-14-20(23-19-7-4-3-6-17(18)19)26-13-5-1-2-8-21(24)25/h3-4,6-7,9-12,14H,1-2,5,8,13H2,(H,24,25).
What are the key properties of 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoic acid?
6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoic acid has a molecular weight of 369.85 g/mol, XLogP of 5.58, 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]oxyhexanoic acid is sourced from PubChem (CID 10451768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).