2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid

C17H20N2O2 — CID 43266682

IUPAC2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid
SMILESCCC1CCCCN1c1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C17H20N2O2/c1-2-12-7-5-6-10-19(12)16-11-14(17(20)21)13-8-3-4-9-15(13)18-16/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,20,21)
InChIKeyASQNZJWVGWHIGM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.70
Rot. Bonds3

About 2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid

2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid (PubChem CID 43266682) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid
PubChem CID43266682
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid
SMILESCCC1CCCCN1c1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C17H20N2O2/c1-2-12-7-5-6-10-19(12)16-11-14(17(20)21)13-8-3-4-9-15(13)18-16/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,20,21)
InChIKeyASQNZJWVGWHIGM-UHFFFAOYSA-N
XLogP3.70
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylquinoline-4-carboxamide
CID 70132088
2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline
CID 63445345
[6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852964
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
[2-(2-methylpiperidin-1-yl)quinolin-4-yl]methanol
CID 61253176
3-chloro-6-(2-ethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 43266685
1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 63885030
(2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973317
N-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847159
[1-(2-methylquinolin-4-yl)piperidin-2-yl]methanol
CID 60716376
2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile
CID 63886216
4-[[4-chloro-6-[(2S)-2-ethylpiperidin-1-yl]pyridine-2-carbonyl]amino]-2-methylbenzoic acid
CID 171085229

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid (CID 43266682) is 2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid is CCC1CCCCN1c1cc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid?
The InChIKey is ASQNZJWVGWHIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-12-7-5-6-10-19(12)16-11-14(17(20)21)13-8-3-4-9-15(13)18-16/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,20,21).
What are the key properties of 2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid?
2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 43266682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).