N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide

C22H25N5O — CID 117089242

IUPACN-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCCCNC(=O)c1cc(N2CCN(c3ccccn3)CC2)nc2ccccc12
InChIInChI=1S/C22H25N5O/c1-2-10-24-22(28)18-16-21(25-19-8-4-3-7-17(18)19)27-14-12-26(13-15-27)20-9-5-6-11-23-20/h3-9,11,16H,2,10,12-15H2,1H3,(H,24,28)
InChIKeyJKHBWRAIXCAEDD-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.10
Rot. Bonds5

About N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide

N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide (PubChem CID 117089242) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide
PubChem CID117089242
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCCCNC(=O)c1cc(N2CCN(c3ccccn3)CC2)nc2ccccc12
InChIInChI=1S/C22H25N5O/c1-2-10-24-22(28)18-16-21(25-19-8-4-3-7-17(18)19)27-14-12-26(13-15-27)20-9-5-6-11-23-20/h3-9,11,16H,2,10,12-15H2,1H3,(H,24,28)
InChIKeyJKHBWRAIXCAEDD-UHFFFAOYSA-N
XLogP3.10
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109109270
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide
CID 46090934
2-(4-benzylpiperazin-1-yl)-N-[3-(diethylamino)propyl]quinoline-4-carboxamide
CID 46091039
N-[2-(dimethylamino)ethyl]-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 126476974
N-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide
CID 156633574
N-(3-methylsulfanylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide
CID 46090884
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 36754760
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 46090825
(4-pyridin-2-ylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 27255529
2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 81108049
N-(2-methoxyethyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109364861

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide?
The IUPAC name of N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide (CID 117089242) is N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide is CCCNC(=O)c1cc(N2CCN(c3ccccn3)CC2)nc2ccccc12.
What is the InChIKey of N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide?
The InChIKey is JKHBWRAIXCAEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-2-10-24-22(28)18-16-21(25-19-8-4-3-7-17(18)19)27-14-12-26(13-15-27)20-9-5-6-11-23-20/h3-9,11,16H,2,10,12-15H2,1H3,(H,24,28).
What are the key properties of N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide?
N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 117089242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).