N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride

C21H25Cl2N5O — CID 119447141

IUPACN-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCN1CCNCC1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C21H23N5O.2ClH/c27-21(24-11-14-26-12-9-23-10-13-26)18-15-20(16-5-7-22-8-6-16)25-19-4-2-1-3-17(18)19;;/h1-8,15,23H,9-14H2,(H,24,27);2*1H
InChIKeyRBOFDCKRQBYGAU-UHFFFAOYSA-N
MW434.37 g/mol
LogP2.78
Rot. Bonds5

About N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride

N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride (PubChem CID 119447141) has the molecular formula C21H25Cl2N5O and a molecular weight of 434.37 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
PubChem CID119447141
Molecular FormulaC21H25Cl2N5O
Molecular Weight434.37 g/mol
Exact Mass433.14
IUPAC NameN-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCN1CCNCC1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C21H23N5O.2ClH/c27-21(24-11-14-26-12-9-23-10-13-26)18-15-20(16-5-7-22-8-6-16)25-19-4-2-1-3-17(18)19;;/h1-8,15,23H,9-14H2,(H,24,27);2*1H
InChIKeyRBOFDCKRQBYGAU-UHFFFAOYSA-N
XLogP2.78
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 30471048
N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 72933899
N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 119388190
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
CID 4618121
N-[2-(azepan-1-ium-1-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082846
2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749415
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride?
The IUPAC name of N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride (CID 119447141) is N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCN1CCNCC1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride?
The InChIKey is RBOFDCKRQBYGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O.2ClH/c27-21(24-11-14-26-12-9-23-10-13-26)18-15-20(16-5-7-22-8-6-16)25-19-4-2-1-3-17(18)19;;/h1-8,15,23H,9-14H2,(H,24,27);2*1H.
What are the key properties of N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride?
N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride has a molecular weight of 434.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119447141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).