[4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine

C16H22N4 — CID 63620935

IUPAC[4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine
SMILESCC1CN(c2cc(CN)nc3ccccc23)CCN1C
InChIInChI=1S/C16H22N4/c1-12-11-20(8-7-19(12)2)16-9-13(10-17)18-15-6-4-3-5-14(15)16/h3-6,9,12H,7-8,10-11,17H2,1-2H3
InChIKeyXKZSHNWFOVZKJV-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.83
Rot. Bonds2

About [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine

[4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine (PubChem CID 63620935) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine
PubChem CID63620935
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name[4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine
SMILESCC1CN(c2cc(CN)nc3ccccc23)CCN1C
InChIInChI=1S/C16H22N4/c1-12-11-20(8-7-19(12)2)16-9-13(10-17)18-15-6-4-3-5-14(15)16/h3-6,9,12H,7-8,10-11,17H2,1-2H3
InChIKeyXKZSHNWFOVZKJV-UHFFFAOYSA-N
XLogP1.83
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-ethyl-4-methylpiperazin-1-yl)quinolin-2-yl]methanamine
CID 63620945
[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine
CID 63374155
(4-thiomorpholin-4-ylquinolin-2-yl)methanamine
CID 63373907
[4-(3,4-dimethylpiperazin-1-yl)quinazolin-2-yl]hydrazine
CID 80909446
2-(3,4-dimethylpiperazin-1-yl)quinoline-4-carbothioamide
CID 63884948
N-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine
CID 63374156
2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline
CID 133402710
1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine
CID 63374160
1-[4-(4-ethylpiperazin-1-yl)quinolin-2-yl]-N-methylmethanamine
CID 63374122
2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol
CID 107228565
4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline
CID 133402712
1-[4-(4-ethylpiperidin-1-yl)quinolin-2-yl]-N-methylmethanamine
CID 63377701

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine?
The IUPAC name of [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine (CID 63620935) is [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine.
What is the SMILES notation for [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine?
The canonical SMILES for [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine is CC1CN(c2cc(CN)nc3ccccc23)CCN1C.
What is the InChIKey of [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine?
The InChIKey is XKZSHNWFOVZKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-11-20(8-7-19(12)2)16-9-13(10-17)18-15-6-4-3-5-14(15)16/h3-6,9,12H,7-8,10-11,17H2,1-2H3.
What are the key properties of [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine?
[4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine is sourced from PubChem (CID 63620935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).