5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide

C17H20ClN3O — CID 119558118

IUPAC5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide
SMILESO=C(NCCC1CCCNC1)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H20ClN3O/c18-15-6-5-14(16-13(15)4-2-9-20-16)17(22)21-10-7-12-3-1-8-19-11-12/h2,4-6,9,12,19H,1,3,7-8,10-11H2,(H,21,22)
InChIKeyUKRUHTNKBIKKCN-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.01
Rot. Bonds4

About 5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide

5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide (PubChem CID 119558118) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide
PubChem CID119558118
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide
SMILESO=C(NCCC1CCCNC1)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H20ClN3O/c18-15-6-5-14(16-13(15)4-2-9-20-16)17(22)21-10-7-12-3-1-8-19-11-12/h2,4-6,9,12,19H,1,3,7-8,10-11H2,(H,21,22)
InChIKeyUKRUHTNKBIKKCN-UHFFFAOYSA-N
XLogP3.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
5-chloro-N-cyclohexylquinoline-8-carboxamide
CID 37248042
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide
CID 119558985
3-hydroxy-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 81445403
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119559624
2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 79749359
4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990343
N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide
CID 81478211
3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990344

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide?
The IUPAC name of 5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide (CID 119558118) is 5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide?
The canonical SMILES for 5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide is O=C(NCCC1CCCNC1)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide?
The InChIKey is UKRUHTNKBIKKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c18-15-6-5-14(16-13(15)4-2-9-20-16)17(22)21-10-7-12-3-1-8-19-11-12/h2,4-6,9,12,19H,1,3,7-8,10-11H2,(H,21,22).
What are the key properties of 5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide?
5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide is sourced from PubChem (CID 119558118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).