8-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoline

C21H24N4 — CID 119071430

IUPAC8-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoline
SMILESCc1ccc(-c2ccc(CN3CCN(C)CC3)cn2)c2cccnc12
InChIInChI=1S/C21H24N4/c1-16-5-7-18(19-4-3-9-22-21(16)19)20-8-6-17(14-23-20)15-25-12-10-24(2)11-13-25/h3-9,14H,10-13,15H2,1-2H3
InChIKeyAXMBBMRPOVTEIR-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.35
Rot. Bonds3

About 8-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoline

8-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoline (PubChem CID 119071430) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 8-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoline.

Molecular Properties

Compound Name8-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoline
PubChem CID119071430
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name8-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoline
SMILESCc1ccc(-c2ccc(CN3CCN(C)CC3)cn2)c2cccnc12
InChIInChI=1S/C21H24N4/c1-16-5-7-18(19-4-3-9-22-21(16)19)20-8-6-17(14-23-20)15-25-12-10-24(2)11-13-25/h3-9,14H,10-13,15H2,1-2H3
InChIKeyAXMBBMRPOVTEIR-UHFFFAOYSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoline with MolForge

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Related Compounds

[2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]phenyl]methanol
CID 74237692
5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline
CID 46634669
[(3R,4S)-4-[(4-methylpiperazin-1-yl)methyl]-1-[(8-methylquinolin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 72909541
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 71302088
N-benzyl-2-hydroxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indole-5-carboxamide;dihydrochloride
CID 135451047
5-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-methyl-1H-indazole
CID 171698004
2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine
CID 134406832
methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol
CID 142849611
7-[(8-methylquinolin-5-yl)methyl]-1-oxa-7-azaspiro[3.5]nonane
CID 135103826
5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride
CID 131888000

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoline?
The IUPAC name of 8-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoline (CID 119071430) is 8-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoline.
What is the SMILES notation for 8-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoline?
The canonical SMILES for 8-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoline is Cc1ccc(-c2ccc(CN3CCN(C)CC3)cn2)c2cccnc12.
What is the InChIKey of 8-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoline?
The InChIKey is AXMBBMRPOVTEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-16-5-7-18(19-4-3-9-22-21(16)19)20-8-6-17(14-23-20)15-25-12-10-24(2)11-13-25/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 8-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoline?
8-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoline has a molecular weight of 332.45 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoline is sourced from PubChem (CID 119071430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).