6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine

C21H25N5 — CID 133468020

IUPAC6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine
SMILESCc1ccc2nccc(NCc3ccc(N4CCN(C)CC4)nc3)c2c1
InChIInChI=1S/C21H25N5/c1-16-3-5-19-18(13-16)20(7-8-22-19)23-14-17-4-6-21(24-15-17)26-11-9-25(2)10-12-26/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,23)
InChIKeyITPGTKCVIZMEBZ-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.30
Rot. Bonds4

About 6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine

6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine (PubChem CID 133468020) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine
PubChem CID133468020
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine
SMILESCc1ccc2nccc(NCc3ccc(N4CCN(C)CC4)nc3)c2c1
InChIInChI=1S/C21H25N5/c1-16-3-5-19-18(13-16)20(7-8-22-19)23-14-17-4-6-21(24-15-17)26-11-9-25(2)10-12-26/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,23)
InChIKeyITPGTKCVIZMEBZ-UHFFFAOYSA-N
XLogP3.30
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-6-methylquinolin-4-amine
CID 133466915
6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyridin-2-amine
CID 133481724
7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine
CID 166239118
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55054608
N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine
CID 118717458
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-nitroquinolin-6-amine
CID 55829623
5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561696
1-(3,5-dimethylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 86986935
7-chloro-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]quinolin-4-amine
CID 94424908
6-methyl-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 133466881
1-tert-butyl-6-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260949
1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride
CID 133058572

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine?
The IUPAC name of 6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine (CID 133468020) is 6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine.
What is the SMILES notation for 6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine?
The canonical SMILES for 6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine is Cc1ccc2nccc(NCc3ccc(N4CCN(C)CC4)nc3)c2c1.
What is the InChIKey of 6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine?
The InChIKey is ITPGTKCVIZMEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-16-3-5-19-18(13-16)20(7-8-22-19)23-14-17-4-6-21(24-15-17)26-11-9-25(2)10-12-26/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,23).
What are the key properties of 6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine?
6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine has a molecular weight of 347.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine is sourced from PubChem (CID 133468020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).