2-(2-methylpentoxy)quinoline-4-carboxylic acid

C16H19NO3 — CID 103283216

IUPAC2-(2-methylpentoxy)quinoline-4-carboxylic acid
SMILESCCCC(C)COc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C16H19NO3/c1-3-6-11(2)10-20-15-9-13(16(18)19)12-7-4-5-8-14(12)17-15/h4-5,7-9,11H,3,6,10H2,1-2H3,(H,18,19)
InChIKeyYVSYWWJHBVOFTA-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.75
Rot. Bonds6

About 2-(2-methylpentoxy)quinoline-4-carboxylic acid

2-(2-methylpentoxy)quinoline-4-carboxylic acid (PubChem CID 103283216) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(2-methylpentoxy)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpentoxy)quinoline-4-carboxylic acid
PubChem CID103283216
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(2-methylpentoxy)quinoline-4-carboxylic acid
SMILESCCCC(C)COc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C16H19NO3/c1-3-6-11(2)10-20-15-9-13(16(18)19)12-7-4-5-8-14(12)17-15/h4-5,7-9,11H,3,6,10H2,1-2H3,(H,18,19)
InChIKeyYVSYWWJHBVOFTA-UHFFFAOYSA-N
XLogP3.75
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxypropoxy)quinoline-4-carboxylic acid
CID 43332241
2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid
CID 61104780
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid
CID 79672347
2-(2-methylpropoxy)quinoline-4-carbothioamide
CID 63886476
2-pentoxyquinoline-4-carbonyl chloride
CID 10423651
1-[1-(2-methylpentoxy)naphthalen-2-yl]ethanone
CID 63530568
3,5-dimethoxy-4-(2-methylpentoxy)benzoic acid
CID 62265882
2-(heptan-2-ylamino)quinoline-4-carboxylic acid
CID 63539339
4-(2-methylpentoxy)-N-propylquinazolin-2-amine
CID 103286409
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-(2-methylpropoxy)quinoline-4-carboxylate
CID 10044547
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
1-[2-(2-methylpentoxy)phenyl]ethanone
CID 62266405

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentoxy)quinoline-4-carboxylic acid?
The IUPAC name of 2-(2-methylpentoxy)quinoline-4-carboxylic acid (CID 103283216) is 2-(2-methylpentoxy)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2-methylpentoxy)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(2-methylpentoxy)quinoline-4-carboxylic acid is CCCC(C)COc1cc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-(2-methylpentoxy)quinoline-4-carboxylic acid?
The InChIKey is YVSYWWJHBVOFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-6-11(2)10-20-15-9-13(16(18)19)12-7-4-5-8-14(12)17-15/h4-5,7-9,11H,3,6,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-methylpentoxy)quinoline-4-carboxylic acid?
2-(2-methylpentoxy)quinoline-4-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentoxy)quinoline-4-carboxylic acid is sourced from PubChem (CID 103283216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).