2,2-dimethyl-6-[4-(4-methylphenyl)quinolin-2-yl]oxyhexanoic acid

C24H27NO3 — CID 10407251

IUPAC2,2-dimethyl-6-[4-(4-methylphenyl)quinolin-2-yl]oxyhexanoic acid
SMILESCc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1
InChIInChI=1S/C24H27NO3/c1-17-10-12-18(13-11-17)20-16-22(25-21-9-5-4-8-19(20)21)28-15-7-6-14-24(2,3)23(26)27/h4-5,8-13,16H,6-7,14-15H2,1-3H3,(H,26,27)
InChIKeyPXNIKYNWMFJIBY-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.87
Rot. Bonds8

About 2,2-dimethyl-6-[4-(4-methylphenyl)quinolin-2-yl]oxyhexanoic acid

2,2-dimethyl-6-[4-(4-methylphenyl)quinolin-2-yl]oxyhexanoic acid (PubChem CID 10407251) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 2,2-dimethyl-6-[4-(4-methylphenyl)quinolin-2-yl]oxyhexanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-6-[4-(4-methylphenyl)quinolin-2-yl]oxyhexanoic acid
PubChem CID10407251
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name2,2-dimethyl-6-[4-(4-methylphenyl)quinolin-2-yl]oxyhexanoic acid
SMILESCc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1
InChIInChI=1S/C24H27NO3/c1-17-10-12-18(13-11-17)20-16-22(25-21-9-5-4-8-19(20)21)28-15-7-6-14-24(2,3)23(26)27/h4-5,8-13,16H,6-7,14-15H2,1-3H3,(H,26,27)
InChIKeyPXNIKYNWMFJIBY-UHFFFAOYSA-N
XLogP5.87
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.87
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
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
2-(4-Methoxyphenyl)quinoline-4-carboxylic acid
CID 676325
S(alpha)-methyl-6-(2-quinolinylmethoxy)-2-naphthaleneacetic acid
CID 129863
Sodium 8-hydroxy-8-(2-pentoxyquinolin-3-yl)oct-5-ynoate
CID 23703312
8-Hydroxy-8-(2-pentyloxy-quinolin-3-yl)-oct-5-ynoic acid methyl ester
CID 44404263
2-(4-Propoxyphenyl)quinoline-4-carboxylic acid
CID 1913233
2-(3,3-dimethyl-1-oxo-4,12-dihydro-2H-chromeno[2,3-b]quinolin-12-yl)propanedinitrile
CID 660660
2-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 5735793

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[4-(4-methylphenyl)quinolin-2-yl]oxyhexanoic acid?
The IUPAC name of 2,2-dimethyl-6-[4-(4-methylphenyl)quinolin-2-yl]oxyhexanoic acid (CID 10407251) is 2,2-dimethyl-6-[4-(4-methylphenyl)quinolin-2-yl]oxyhexanoic acid.
What is the SMILES notation for 2,2-dimethyl-6-[4-(4-methylphenyl)quinolin-2-yl]oxyhexanoic acid?
The canonical SMILES for 2,2-dimethyl-6-[4-(4-methylphenyl)quinolin-2-yl]oxyhexanoic acid is Cc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1.
What is the InChIKey of 2,2-dimethyl-6-[4-(4-methylphenyl)quinolin-2-yl]oxyhexanoic acid?
The InChIKey is PXNIKYNWMFJIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-17-10-12-18(13-11-17)20-16-22(25-21-9-5-4-8-19(20)21)28-15-7-6-14-24(2,3)23(26)27/h4-5,8-13,16H,6-7,14-15H2,1-3H3,(H,26,27).
What are the key properties of 2,2-dimethyl-6-[4-(4-methylphenyl)quinolin-2-yl]oxyhexanoic acid?
2,2-dimethyl-6-[4-(4-methylphenyl)quinolin-2-yl]oxyhexanoic acid has a molecular weight of 377.48 g/mol, XLogP of 5.87, 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-(4-methylphenyl)quinolin-2-yl]oxyhexanoic acid is sourced from PubChem (CID 10407251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).