N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride

C22H26Cl2N4O — CID 119557872

IUPACN-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCCNC1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C22H24N4O.2ClH/c27-22(25-12-9-16-5-3-10-23-14-16)19-13-21(17-6-4-11-24-15-17)26-20-8-2-1-7-18(19)20;;/h1-2,4,6-8,11,13,15-16,23H,3,5,9-10,12,14H2,(H,25,27);2*1H
InChIKeyMVSFPKUXEMAGTD-UHFFFAOYSA-N
MW433.38 g/mol
LogP4.26
Rot. Bonds5

About N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride

N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride (PubChem CID 119557872) has the molecular formula C22H26Cl2N4O and a molecular weight of 433.38 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride
PubChem CID119557872
Molecular FormulaC22H26Cl2N4O
Molecular Weight433.38 g/mol
Exact Mass432.15
IUPAC NameN-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCCNC1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C22H24N4O.2ClH/c27-22(25-12-9-16-5-3-10-23-14-16)19-13-21(17-6-4-11-24-15-17)26-20-8-2-1-7-18(19)20;;/h1-2,4,6-8,11,13,15-16,23H,3,5,9-10,12,14H2,(H,25,27);2*1H
InChIKeyMVSFPKUXEMAGTD-UHFFFAOYSA-N
XLogP4.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide
CID 162460261
N-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 31850217
1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone
CID 12799874
N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 162460260
N-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 119459873
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
3-hydroxy-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 81445403
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119558710
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27847926
N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 27682804
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612002

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride?
The IUPAC name of N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride (CID 119557872) is N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCC1CCCNC1)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride?
The InChIKey is MVSFPKUXEMAGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O.2ClH/c27-22(25-12-9-16-5-3-10-23-14-16)19-13-21(17-6-4-11-24-15-17)26-20-8-2-1-7-18(19)20;;/h1-2,4,6-8,11,13,15-16,23H,3,5,9-10,12,14H2,(H,25,27);2*1H.
What are the key properties of N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride?
N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride has a molecular weight of 433.38 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119557872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).