[4-(3-ethyl-4-methylpiperazin-1-yl)quinolin-2-yl]methanamine

C17H24N4 — CID 63620945

IUPAC[4-(3-ethyl-4-methylpiperazin-1-yl)quinolin-2-yl]methanamine
SMILESCCC1CN(c2cc(CN)nc3ccccc23)CCN1C
InChIInChI=1S/C17H24N4/c1-3-14-12-21(9-8-20(14)2)17-10-13(11-18)19-16-7-5-4-6-15(16)17/h4-7,10,14H,3,8-9,11-12,18H2,1-2H3
InChIKeyDGTXTXCBZWPUIQ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.22
Rot. Bonds3

About [4-(3-ethyl-4-methylpiperazin-1-yl)quinolin-2-yl]methanamine

[4-(3-ethyl-4-methylpiperazin-1-yl)quinolin-2-yl]methanamine (PubChem CID 63620945) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is [4-(3-ethyl-4-methylpiperazin-1-yl)quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3-ethyl-4-methylpiperazin-1-yl)quinolin-2-yl]methanamine
PubChem CID63620945
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name[4-(3-ethyl-4-methylpiperazin-1-yl)quinolin-2-yl]methanamine
SMILESCCC1CN(c2cc(CN)nc3ccccc23)CCN1C
InChIInChI=1S/C17H24N4/c1-3-14-12-21(9-8-20(14)2)17-10-13(11-18)19-16-7-5-4-6-15(16)17/h4-7,10,14H,3,8-9,11-12,18H2,1-2H3
InChIKeyDGTXTXCBZWPUIQ-UHFFFAOYSA-N
XLogP2.22
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-ethyl-4-methylpiperazin-1-yl)quinolin-2-yl]methanamine?
The IUPAC name of [4-(3-ethyl-4-methylpiperazin-1-yl)quinolin-2-yl]methanamine (CID 63620945) is [4-(3-ethyl-4-methylpiperazin-1-yl)quinolin-2-yl]methanamine.
What is the SMILES notation for [4-(3-ethyl-4-methylpiperazin-1-yl)quinolin-2-yl]methanamine?
The canonical SMILES for [4-(3-ethyl-4-methylpiperazin-1-yl)quinolin-2-yl]methanamine is CCC1CN(c2cc(CN)nc3ccccc23)CCN1C.
What is the InChIKey of [4-(3-ethyl-4-methylpiperazin-1-yl)quinolin-2-yl]methanamine?
The InChIKey is DGTXTXCBZWPUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-14-12-21(9-8-20(14)2)17-10-13(11-18)19-16-7-5-4-6-15(16)17/h4-7,10,14H,3,8-9,11-12,18H2,1-2H3.
What are the key properties of [4-(3-ethyl-4-methylpiperazin-1-yl)quinolin-2-yl]methanamine?
[4-(3-ethyl-4-methylpiperazin-1-yl)quinolin-2-yl]methanamine has a molecular weight of 284.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethyl-4-methylpiperazin-1-yl)quinolin-2-yl]methanamine is sourced from PubChem (CID 63620945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).