4-(2-ethylpiperazin-1-yl)-2-methylquinoline

C16H21N3 — CID 63602882

IUPAC4-(2-ethylpiperazin-1-yl)-2-methylquinoline
SMILESCCC1CNCCN1c1cc(C)nc2ccccc12
InChIInChI=1S/C16H21N3/c1-3-13-11-17-8-9-19(13)16-10-12(2)18-15-7-5-4-6-14(15)16/h4-7,10,13,17H,3,8-9,11H2,1-2H3
InChIKeyXNCGDRDDSIJUFV-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.73
Rot. Bonds2

About 4-(2-ethylpiperazin-1-yl)-2-methylquinoline

4-(2-ethylpiperazin-1-yl)-2-methylquinoline (PubChem CID 63602882) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-(2-ethylpiperazin-1-yl)-2-methylquinoline.

Molecular Properties

Compound Name4-(2-ethylpiperazin-1-yl)-2-methylquinoline
PubChem CID63602882
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-(2-ethylpiperazin-1-yl)-2-methylquinoline
SMILESCCC1CNCCN1c1cc(C)nc2ccccc12
InChIInChI=1S/C16H21N3/c1-3-13-11-17-8-9-19(13)16-10-12(2)18-15-7-5-4-6-14(15)16/h4-7,10,13,17H,3,8-9,11H2,1-2H3
InChIKeyXNCGDRDDSIJUFV-UHFFFAOYSA-N
XLogP2.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperazin-1-yl)-2-methylquinoline?
The IUPAC name of 4-(2-ethylpiperazin-1-yl)-2-methylquinoline (CID 63602882) is 4-(2-ethylpiperazin-1-yl)-2-methylquinoline.
What is the SMILES notation for 4-(2-ethylpiperazin-1-yl)-2-methylquinoline?
The canonical SMILES for 4-(2-ethylpiperazin-1-yl)-2-methylquinoline is CCC1CNCCN1c1cc(C)nc2ccccc12.
What is the InChIKey of 4-(2-ethylpiperazin-1-yl)-2-methylquinoline?
The InChIKey is XNCGDRDDSIJUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-13-11-17-8-9-19(13)16-10-12(2)18-15-7-5-4-6-14(15)16/h4-7,10,13,17H,3,8-9,11H2,1-2H3.
What are the key properties of 4-(2-ethylpiperazin-1-yl)-2-methylquinoline?
4-(2-ethylpiperazin-1-yl)-2-methylquinoline has a molecular weight of 255.37 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperazin-1-yl)-2-methylquinoline is sourced from PubChem (CID 63602882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).