4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid

C17H20N2O2 — CID 61340983

IUPAC4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid
SMILESCCC1CCCN(c2c(C(=O)O)cnc3ccccc23)C1
InChIInChI=1S/C17H20N2O2/c1-2-12-6-5-9-19(11-12)16-13-7-3-4-8-15(13)18-10-14(16)17(20)21/h3-4,7-8,10,12H,2,5-6,9,11H2,1H3,(H,20,21)
InChIKeyFHQSYVBXIZDRKR-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.56
Rot. Bonds3

About 4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid

4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid (PubChem CID 61340983) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid
PubChem CID61340983
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid
SMILESCCC1CCCN(c2c(C(=O)O)cnc3ccccc23)C1
InChIInChI=1S/C17H20N2O2/c1-2-12-6-5-9-19(11-12)16-13-7-3-4-8-15(13)18-10-14(16)17(20)21/h3-4,7-8,10,12H,2,5-6,9,11H2,1H3,(H,20,21)
InChIKeyFHQSYVBXIZDRKR-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide
CID 63267311
2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43430341
2-[1-(3-carbamoylquinolin-4-yl)azetidin-3-yl]acetic acid
CID 64617657
4-[3-(hydroxymethyl)piperidin-1-yl]cinnoline-3-carboxylic acid
CID 64622897
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501
2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol
CID 107227097
2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline
CID 62478018
4-(3-methoxypiperidin-1-yl)quinoline-3-carbothioamide
CID 102957995
2-(3-ethylpiperidin-1-yl)quinoline-4-carbothioamide
CID 63885900
4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 61205193
ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate
CID 133277758
(1-chloroisoquinolin-4-yl)-(3-ethylpiperidin-1-yl)methanone
CID 106765973

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid?
The IUPAC name of 4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid (CID 61340983) is 4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid?
The canonical SMILES for 4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid is CCC1CCCN(c2c(C(=O)O)cnc3ccccc23)C1.
What is the InChIKey of 4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid?
The InChIKey is FHQSYVBXIZDRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-12-6-5-9-19(11-12)16-13-7-3-4-8-15(13)18-10-14(16)17(20)21/h3-4,7-8,10,12H,2,5-6,9,11H2,1H3,(H,20,21).
What are the key properties of 4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid?
4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid is sourced from PubChem (CID 61340983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).