1-amino-N-(6-chloroquinolin-2-yl)piperidine-4-carboxamide

C15H17ClN4O — CID 166158823

IUPAC1-amino-N-(6-chloroquinolin-2-yl)piperidine-4-carboxamide
SMILESNN1CCC(C(=O)Nc2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C15H17ClN4O/c16-12-2-3-13-11(9-12)1-4-14(18-13)19-15(21)10-5-7-20(17)8-6-10/h1-4,9-10H,5-8,17H2,(H,18,19,21)
InChIKeyAKXZWQKBTKREPU-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.41
Rot. Bonds2

About 1-amino-N-(6-chloroquinolin-2-yl)piperidine-4-carboxamide

1-amino-N-(6-chloroquinolin-2-yl)piperidine-4-carboxamide (PubChem CID 166158823) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-amino-N-(6-chloroquinolin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-(6-chloroquinolin-2-yl)piperidine-4-carboxamide
PubChem CID166158823
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name1-amino-N-(6-chloroquinolin-2-yl)piperidine-4-carboxamide
SMILESNN1CCC(C(=O)Nc2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C15H17ClN4O/c16-12-2-3-13-11(9-12)1-4-14(18-13)19-15(21)10-5-7-20(17)8-6-10/h1-4,9-10H,5-8,17H2,(H,18,19,21)
InChIKeyAKXZWQKBTKREPU-UHFFFAOYSA-N
XLogP2.41
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide
CID 167408949
1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808313
N-[[4-[(6-chloroquinolin-2-yl)carbamoyl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 166158850
4-amino-N-[(6-chloroquinolin-2-yl)methyl]cyclohexane-1-carboxamide
CID 166158842
4-[4-[(4-chloro-3-fluorophenoxy)methyl]pyrazol-1-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide
CID 167409037
N-quinolin-2-ylcyclopentanecarboxamide
CID 39959364
N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
CID 64916810
N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide
CID 55930636
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
5-[(6-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide
CID 11492993
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzoic acid
CID 79511933
N-(7-chloroquinolin-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 167970559

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(6-chloroquinolin-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-amino-N-(6-chloroquinolin-2-yl)piperidine-4-carboxamide (CID 166158823) is 1-amino-N-(6-chloroquinolin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-amino-N-(6-chloroquinolin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-amino-N-(6-chloroquinolin-2-yl)piperidine-4-carboxamide is NN1CCC(C(=O)Nc2ccc3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 1-amino-N-(6-chloroquinolin-2-yl)piperidine-4-carboxamide?
The InChIKey is AKXZWQKBTKREPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-12-2-3-13-11(9-12)1-4-14(18-13)19-15(21)10-5-7-20(17)8-6-10/h1-4,9-10H,5-8,17H2,(H,18,19,21).
What are the key properties of 1-amino-N-(6-chloroquinolin-2-yl)piperidine-4-carboxamide?
1-amino-N-(6-chloroquinolin-2-yl)piperidine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(6-chloroquinolin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 166158823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).