2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline

C18H25N3 — CID 79232786

IUPAC2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline
SMILESCCCC1CNCCN1Cc1cc(C)nc2ccccc12
InChIInChI=1S/C18H25N3/c1-3-6-16-12-19-9-10-21(16)13-15-11-14(2)20-18-8-5-4-7-17(15)18/h4-5,7-8,11,16,19H,3,6,9-10,12-13H2,1-2H3
InChIKeyZDCHLEOZURWBMA-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.12
Rot. Bonds4

About 2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline

2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline (PubChem CID 79232786) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline
PubChem CID79232786
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline
SMILESCCCC1CNCCN1Cc1cc(C)nc2ccccc12
InChIInChI=1S/C18H25N3/c1-3-6-16-12-19-9-10-21(16)13-15-11-14(2)20-18-8-5-4-7-17(15)18/h4-5,7-8,11,16,19H,3,6,9-10,12-13H2,1-2H3
InChIKeyZDCHLEOZURWBMA-UHFFFAOYSA-N
XLogP3.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(naphthalen-1-ylmethyl)-2-propylpiperazine
CID 64832736
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride
CID 120753959
4-(2-ethylpiperazin-1-yl)-2-methylquinoline
CID 63602882
1-[(2,3-dichlorophenyl)methyl]-2-propylpiperazine
CID 107310434
[4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine
CID 80503449
4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-methylquinoline
CID 79234958
4-[[2-(2-methylpropyl)piperazin-1-yl]methyl]quinoline
CID 79232796
2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine
CID 64832933
2-propyl-1-(pyridin-4-ylmethyl)piperazine
CID 64832934
(5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione
CID 95631707
1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine
CID 64831564
6-fluoro-2-[(2-propylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 120843834

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline (CID 79232786) is 2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline is CCCC1CNCCN1Cc1cc(C)nc2ccccc12.
What is the InChIKey of 2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline?
The InChIKey is ZDCHLEOZURWBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-6-16-12-19-9-10-21(16)13-15-11-14(2)20-18-8-5-4-7-17(15)18/h4-5,7-8,11,16,19H,3,6,9-10,12-13H2,1-2H3.
What are the key properties of 2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline?
2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline has a molecular weight of 283.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 79232786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).