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

C16H22N4 — CID 63634223

IUPAC3-[(3,4-dimethylpiperazin-1-yl)methyl]quinolin-2-amine
SMILESCC1CN(Cc2cc3ccccc3nc2N)CCN1C
InChIInChI=1S/C16H22N4/c1-12-10-20(8-7-19(12)2)11-14-9-13-5-3-4-6-15(13)18-16(14)17/h3-6,9,12H,7-8,10-11H2,1-2H3,(H2,17,18)
InChIKeyCYYDZBBBRVLYSK-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.95
Rot. Bonds2

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

3-[(3,4-dimethylpiperazin-1-yl)methyl]quinolin-2-amine (PubChem CID 63634223) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[(3,4-dimethylpiperazin-1-yl)methyl]quinolin-2-amine.

Molecular Properties

Compound Name3-[(3,4-dimethylpiperazin-1-yl)methyl]quinolin-2-amine
PubChem CID63634223
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-[(3,4-dimethylpiperazin-1-yl)methyl]quinolin-2-amine
SMILESCC1CN(Cc2cc3ccccc3nc2N)CCN1C
InChIInChI=1S/C16H22N4/c1-12-10-20(8-7-19(12)2)11-14-9-13-5-3-4-6-15(13)18-16(14)17/h3-6,9,12H,7-8,10-11H2,1-2H3,(H2,17,18)
InChIKeyCYYDZBBBRVLYSK-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylpiperazin-1-yl)methyl]quinolin-2-amine?
The IUPAC name of 3-[(3,4-dimethylpiperazin-1-yl)methyl]quinolin-2-amine (CID 63634223) is 3-[(3,4-dimethylpiperazin-1-yl)methyl]quinolin-2-amine.
What is the SMILES notation for 3-[(3,4-dimethylpiperazin-1-yl)methyl]quinolin-2-amine?
The canonical SMILES for 3-[(3,4-dimethylpiperazin-1-yl)methyl]quinolin-2-amine is CC1CN(Cc2cc3ccccc3nc2N)CCN1C.
What is the InChIKey of 3-[(3,4-dimethylpiperazin-1-yl)methyl]quinolin-2-amine?
The InChIKey is CYYDZBBBRVLYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-10-20(8-7-19(12)2)11-14-9-13-5-3-4-6-15(13)18-16(14)17/h3-6,9,12H,7-8,10-11H2,1-2H3,(H2,17,18).
What are the key properties of 3-[(3,4-dimethylpiperazin-1-yl)methyl]quinolin-2-amine?
3-[(3,4-dimethylpiperazin-1-yl)methyl]quinolin-2-amine has a molecular weight of 270.38 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylpiperazin-1-yl)methyl]quinolin-2-amine is sourced from PubChem (CID 63634223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).