2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride

C16H21Cl2N3O — CID 119386176

IUPAC2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride
SMILESCc1ccc2cccc(C(=O)NC3CCNCC3)c2n1.Cl.Cl
InChIInChI=1S/C16H19N3O.2ClH/c1-11-5-6-12-3-2-4-14(15(12)18-11)16(20)19-13-7-9-17-10-8-13;;/h2-6,13,17H,7-10H2,1H3,(H,19,20);2*1H
InChIKeyPWZYIFGRIVGGSM-UHFFFAOYSA-N
MW342.27 g/mol
LogP2.87
Rot. Bonds2

About 2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride

2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride (PubChem CID 119386176) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is 2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride
PubChem CID119386176
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride
SMILESCc1ccc2cccc(C(=O)NC3CCNCC3)c2n1.Cl.Cl
InChIInChI=1S/C16H19N3O.2ClH/c1-11-5-6-12-3-2-4-14(15(12)18-11)16(20)19-13-7-9-17-10-8-13;;/h2-6,13,17H,7-10H2,1H3,(H,19,20);2*1H
InChIKeyPWZYIFGRIVGGSM-UHFFFAOYSA-N
XLogP2.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride
CID 120599721
2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387158
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide
CID 119460242
2-methyl-N-phenyl-5-(piperidin-4-ylamino)quinoline-8-carboxamide;hydrochloride
CID 175301099
N-piperidin-4-yl-2H-isoindole-4-carboxamide
CID 175803633
6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119451522
2-(piperidin-4-ylamino)-N-pyrimidin-2-ylquinoline-8-carboxamide;hydrochloride
CID 175781009
N-(azepan-4-yl)-2,3-dimethylbenzamide
CID 105060973
2-methyl-3-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386306
N-cyclohexyl-2-methylquinoline-5-carboxamide
CID 143116109
N-(azepan-4-yl)-2-methylquinoline-4-carboxamide
CID 105058000

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride?
The IUPAC name of 2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride (CID 119386176) is 2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride.
What is the SMILES notation for 2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride?
The canonical SMILES for 2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride is Cc1ccc2cccc(C(=O)NC3CCNCC3)c2n1.Cl.Cl.
What is the InChIKey of 2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride?
The InChIKey is PWZYIFGRIVGGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.2ClH/c1-11-5-6-12-3-2-4-14(15(12)18-11)16(20)19-13-7-9-17-10-8-13;;/h2-6,13,17H,7-10H2,1H3,(H,19,20);2*1H.
What are the key properties of 2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride?
2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride has a molecular weight of 342.27 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride is sourced from PubChem (CID 119386176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).