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

C16H17NO3 — CID 106200390

IUPAC4-(2-cyclobutylethoxy)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(OCCC2CCC2)c2ccccc2n1
InChIInChI=1S/C16H17NO3/c18-16(19)14-10-15(20-9-8-11-4-3-5-11)12-6-1-2-7-13(12)17-14/h1-2,6-7,10-11H,3-5,8-9H2,(H,18,19)
InChIKeyDBDSEXQRBWNQDC-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.50
Rot. Bonds5

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

4-(2-cyclobutylethoxy)quinoline-2-carboxylic acid (PubChem CID 106200390) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(2-cyclobutylethoxy)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyclobutylethoxy)quinoline-2-carboxylic acid
PubChem CID106200390
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-(2-cyclobutylethoxy)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(OCCC2CCC2)c2ccccc2n1
InChIInChI=1S/C16H17NO3/c18-16(19)14-10-15(20-9-8-11-4-3-5-11)12-6-1-2-7-13(12)17-14/h1-2,6-7,10-11H,3-5,8-9H2,(H,18,19)
InChIKeyDBDSEXQRBWNQDC-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

Veliflapon
CID 123723
SR 2640
CID 128355
4-Methoxy-2-quinolinecarboxylic acid
CID 594596
2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
2-Methoxy-4-quinolinecarboxylic acid
CID 1130354
3-Methylbut-2-enyl 4-methoxy-8-(3-methylbut-2-enoxy)quinoline-2-carboxylate
CID 46910769
3-Methylbut-2-enyl 4,8-bis(3-methylbut-2-enoxy)quinoline-2-carboxylate
CID 73602831
2-(4-Propoxyphenyl)quinoline-4-carboxylic acid
CID 1913233
4-Methoxy-6-nitroquinoline-2-carboxylic acid
CID 676850
3-(3-(2-Quinolinylmethyloxy)phenoxymethyl)benzoic acid
CID 9952064
4-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]butanoic acid
CID 10019718
4-[3-(Quinolin-2-ylmethoxy)-phenoxymethyl]-benzoic acid
CID 10156907

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethoxy)quinoline-2-carboxylic acid?
The IUPAC name of 4-(2-cyclobutylethoxy)quinoline-2-carboxylic acid (CID 106200390) is 4-(2-cyclobutylethoxy)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-(2-cyclobutylethoxy)quinoline-2-carboxylic acid?
The canonical SMILES for 4-(2-cyclobutylethoxy)quinoline-2-carboxylic acid is O=C(O)c1cc(OCCC2CCC2)c2ccccc2n1.
What is the InChIKey of 4-(2-cyclobutylethoxy)quinoline-2-carboxylic acid?
The InChIKey is DBDSEXQRBWNQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-16(19)14-10-15(20-9-8-11-4-3-5-11)12-6-1-2-7-13(12)17-14/h1-2,6-7,10-11H,3-5,8-9H2,(H,18,19).
What are the key properties of 4-(2-cyclobutylethoxy)quinoline-2-carboxylic acid?
4-(2-cyclobutylethoxy)quinoline-2-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 4-(2-cyclobutylethoxy)quinoline-2-carboxylic acid is sourced from PubChem (CID 106200390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).