6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid

C17H20N2O2 — CID 84643398

IUPAC6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid
SMILESCCc1ccc2nc(C3CCNCC3)cc(C(=O)O)c2c1
InChIInChI=1S/C17H20N2O2/c1-2-11-3-4-15-13(9-11)14(17(20)21)10-16(19-15)12-5-7-18-8-6-12/h3-4,9-10,12,18H,2,5-8H2,1H3,(H,20,21)
InChIKeyUGVFOBOCBQSYMR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.96
Rot. Bonds3

About 6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid

6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid (PubChem CID 84643398) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid
PubChem CID84643398
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid
SMILESCCc1ccc2nc(C3CCNCC3)cc(C(=O)O)c2c1
InChIInChI=1S/C17H20N2O2/c1-2-11-3-4-15-13(9-11)14(17(20)21)10-16(19-15)12-5-7-18-8-6-12/h3-4,9-10,12,18H,2,5-8H2,1H3,(H,20,21)
InChIKeyUGVFOBOCBQSYMR-UHFFFAOYSA-N
XLogP2.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84643635
6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid
CID 84641479
2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84635932
2-bromo-6-ethylquinoline-4-carboxylic acid
CID 82184197
6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid
CID 5133447
6-ethylquinoline-4-carboxylic acid
CID 83527113
7-fluoro-2-pyrrolidin-3-ylquinoline-4-carboxylic acid
CID 84638041
2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid
CID 63463304
2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride
CID 119824385
6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 860396
2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
CID 4021744
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid (CID 84643398) is 6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid is CCc1ccc2nc(C3CCNCC3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid?
The InChIKey is UGVFOBOCBQSYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-11-3-4-15-13(9-11)14(17(20)21)10-16(19-15)12-5-7-18-8-6-12/h3-4,9-10,12,18H,2,5-8H2,1H3,(H,20,21).
What are the key properties of 6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid?
6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 84643398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).