2,2-dimethyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid

C23H25NO3 — CID 10248148

IUPAC2,2-dimethyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid
SMILESCC(C)(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O
InChIInChI=1S/C23H25NO3/c1-23(2,22(25)26)14-8-9-15-27-21-16-19(17-10-4-3-5-11-17)18-12-6-7-13-20(18)24-21/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,25,26)
InChIKeyXDAFKHIHHDWBLG-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.56
Rot. Bonds8

About 2,2-dimethyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid

2,2-dimethyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid (PubChem CID 10248148) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2,2-dimethyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid
PubChem CID10248148
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name2,2-dimethyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid
SMILESCC(C)(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O
InChIInChI=1S/C23H25NO3/c1-23(2,22(25)26)14-8-9-15-27-21-16-19(17-10-4-3-5-11-17)18-12-6-7-13-20(18)24-21/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,25,26)
InChIKeyXDAFKHIHHDWBLG-UHFFFAOYSA-N
XLogP5.56
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.56
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
alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
CID 5059
A-93178
CID 101018054
2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
Abt-080
CID 9850972
(2E)-3-(2-propoxyquinolin-3-yl)prop-2-enoic acid
CID 2451326
2-Methoxy-4-quinolinecarboxylic acid
CID 1130354
(inverted exclamation markA)-BI-D
CID 71592850
(2s)-Tert-Butoxy[4-(3,4-Dihydro-2h-Chromen-6-Yl)-2-Methylquinolin-3-Yl]ethanoic Acid
CID 44199168
2,2-Diethyl-N-[3-(quinolin-2-ylmethoxy)-phenyl]-succinamic acid
CID 9822618
2-(4-Methoxyphenyl)quinoline-4-carboxylic acid
CID 676325
S(alpha)-methyl-6-(2-quinolinylmethoxy)-2-naphthaleneacetic acid
CID 129863

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid?
The IUPAC name of 2,2-dimethyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid (CID 10248148) is 2,2-dimethyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid.
What is the SMILES notation for 2,2-dimethyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid?
The canonical SMILES for 2,2-dimethyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid is CC(C)(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid?
The InChIKey is XDAFKHIHHDWBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-23(2,22(25)26)14-8-9-15-27-21-16-19(17-10-4-3-5-11-17)18-12-6-7-13-20(18)24-21/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,25,26).
What are the key properties of 2,2-dimethyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid?
2,2-dimethyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid has a molecular weight of 363.46 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(4-phenylquinolin-2-yl)oxyhexanoic acid is sourced from PubChem (CID 10248148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).