N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride

C21H24Cl2N4O — CID 120598205

IUPACN-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)CCN1.Cl.Cl
InChIInChI=1S/C21H22N4O.2ClH/c1-14-12-16(8-11-23-14)24-21(26)18-13-20(15-6-9-22-10-7-15)25-19-5-3-2-4-17(18)19;;/h2-7,9-10,13-14,16,23H,8,11-12H2,1H3,(H,24,26);2*1H
InChIKeyWZJJXVNFEUYVGO-UHFFFAOYSA-N
MW419.36 g/mol
LogP4.01
Rot. Bonds3

About N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride

N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride (PubChem CID 120598205) has the molecular formula C21H24Cl2N4O and a molecular weight of 419.36 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
PubChem CID120598205
Molecular FormulaC21H24Cl2N4O
Molecular Weight419.36 g/mol
Exact Mass418.13
IUPAC NameN-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)CCN1.Cl.Cl
InChIInChI=1S/C21H22N4O.2ClH/c1-14-12-16(8-11-23-14)24-21(26)18-13-20(15-6-9-22-10-7-15)25-19-5-3-2-4-17(18)19;;/h2-7,9-10,13-14,16,23H,8,11-12H2,1H3,(H,24,26);2*1H
InChIKeyWZJJXVNFEUYVGO-UHFFFAOYSA-N
XLogP4.01
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 119388190
2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride
CID 120598132
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 119457455
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 56569028
N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
CID 78767510
N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 120599049
N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride
CID 119476850
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 119456905
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72882893
N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
CID 119447141
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride (CID 120598205) is N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride is CC1CC(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)CCN1.Cl.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride?
The InChIKey is WZJJXVNFEUYVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O.2ClH/c1-14-12-16(8-11-23-14)24-21(26)18-13-20(15-6-9-22-10-7-15)25-19-5-3-2-4-17(18)19;;/h2-7,9-10,13-14,16,23H,8,11-12H2,1H3,(H,24,26);2*1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride?
N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride has a molecular weight of 419.36 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120598205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).