2-(2-cyclobutylethoxy)quinoline-5-carboxylic acid

C16H17NO3 — CID 106200392

IUPAC2-(2-cyclobutylethoxy)quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(OCCC3CCC3)ccc12
InChIInChI=1S/C16H17NO3/c18-16(19)13-5-2-6-14-12(13)7-8-15(17-14)20-10-9-11-3-1-4-11/h2,5-8,11H,1,3-4,9-10H2,(H,18,19)
InChIKeyNGFKWNOQIYZCHF-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.50
Rot. Bonds5

About 2-(2-cyclobutylethoxy)quinoline-5-carboxylic acid

2-(2-cyclobutylethoxy)quinoline-5-carboxylic acid (PubChem CID 106200392) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)quinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)quinoline-5-carboxylic acid
PubChem CID106200392
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(2-cyclobutylethoxy)quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(OCCC3CCC3)ccc12
InChIInChI=1S/C16H17NO3/c18-16(19)13-5-2-6-14-12(13)7-8-15(17-14)20-10-9-11-3-1-4-11/h2,5-8,11H,1,3-4,9-10H2,(H,18,19)
InChIKeyNGFKWNOQIYZCHF-UHFFFAOYSA-N
XLogP3.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
6-Fluoro-2-[2-Methyl-4-Phenoxy-5-(Propan-2-Yl)phenyl]quinoline-4-Carboxylic Acid
CID 71816353
(2E)-3-(2-propoxyquinolin-3-yl)prop-2-enoic acid
CID 2451326
6-Methoxy-2-methylquinoline-4-carboxylic acid
CID 652347
2-Methoxy-4-quinolinecarboxylic acid
CID 1130354
2,3-Dimethylphenyl 2-(4-methoxyphenyl)-4-quinolinecarboxylate
CID 1739332
2-(4-Methoxyphenyl)quinoline-4-carboxylic acid
CID 676325
Picoxystrobin metabolite M8
CID 138394697
(1-Butylpiperidin-4-yl)methyl 2-methoxyquinoline-4-carboxylate
CID 145987934
4-Methoxy-5,6-dihydrobenzo[c]acridine-7-carboxylic acid
CID 5297786
2-(4-Propoxyphenyl)quinoline-4-carboxylic acid
CID 1913233
2-(2,4-Diethoxyphenyl)quinoline-4-carboxylic acid
CID 753136

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)quinoline-5-carboxylic acid?
The IUPAC name of 2-(2-cyclobutylethoxy)quinoline-5-carboxylic acid (CID 106200392) is 2-(2-cyclobutylethoxy)quinoline-5-carboxylic acid.
What is the SMILES notation for 2-(2-cyclobutylethoxy)quinoline-5-carboxylic acid?
The canonical SMILES for 2-(2-cyclobutylethoxy)quinoline-5-carboxylic acid is O=C(O)c1cccc2nc(OCCC3CCC3)ccc12.
What is the InChIKey of 2-(2-cyclobutylethoxy)quinoline-5-carboxylic acid?
The InChIKey is NGFKWNOQIYZCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-16(19)13-5-2-6-14-12(13)7-8-15(17-14)20-10-9-11-3-1-4-11/h2,5-8,11H,1,3-4,9-10H2,(H,18,19).
What are the key properties of 2-(2-cyclobutylethoxy)quinoline-5-carboxylic acid?
2-(2-cyclobutylethoxy)quinoline-5-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)quinoline-5-carboxylic acid is sourced from PubChem (CID 106200392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).