2-(2,3-dimethylimidazol-4-yl)-4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]quinoline

C22H29N5 — CID 169421949

IUPAC2-(2,3-dimethylimidazol-4-yl)-4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]quinoline
SMILESCc1cc(-c2cnc(C)n2C)nc2ccc(CCN3CCN(C)CC3)cc12
InChIInChI=1S/C22H29N5/c1-16-13-21(22-15-23-17(2)26(22)4)24-20-6-5-18(14-19(16)20)7-8-27-11-9-25(3)10-12-27/h5-6,13-15H,7-12H2,1-4H3
InChIKeyJPXDAEOJYCSFHE-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.04
Rot. Bonds4

About 2-(2,3-dimethylimidazol-4-yl)-4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]quinoline

2-(2,3-dimethylimidazol-4-yl)-4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]quinoline (PubChem CID 169421949) has the molecular formula C22H29N5 and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-(2,3-dimethylimidazol-4-yl)-4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]quinoline.

Molecular Properties

Compound Name2-(2,3-dimethylimidazol-4-yl)-4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]quinoline
PubChem CID169421949
Molecular FormulaC22H29N5
Molecular Weight363.51 g/mol
Exact Mass363.24
IUPAC Name2-(2,3-dimethylimidazol-4-yl)-4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]quinoline
SMILESCc1cc(-c2cnc(C)n2C)nc2ccc(CCN3CCN(C)CC3)cc12
InChIInChI=1S/C22H29N5/c1-16-13-21(22-15-23-17(2)26(22)4)24-20-6-5-18(14-19(16)20)7-8-27-11-9-25(3)10-12-27/h5-6,13-15H,7-12H2,1-4H3
InChIKeyJPXDAEOJYCSFHE-UHFFFAOYSA-N
XLogP3.04
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylimidazol-4-yl)-4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]quinoline?
The IUPAC name of 2-(2,3-dimethylimidazol-4-yl)-4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]quinoline (CID 169421949) is 2-(2,3-dimethylimidazol-4-yl)-4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]quinoline.
What is the SMILES notation for 2-(2,3-dimethylimidazol-4-yl)-4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]quinoline?
The canonical SMILES for 2-(2,3-dimethylimidazol-4-yl)-4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]quinoline is Cc1cc(-c2cnc(C)n2C)nc2ccc(CCN3CCN(C)CC3)cc12.
What is the InChIKey of 2-(2,3-dimethylimidazol-4-yl)-4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]quinoline?
The InChIKey is JPXDAEOJYCSFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5/c1-16-13-21(22-15-23-17(2)26(22)4)24-20-6-5-18(14-19(16)20)7-8-27-11-9-25(3)10-12-27/h5-6,13-15H,7-12H2,1-4H3.
What are the key properties of 2-(2,3-dimethylimidazol-4-yl)-4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]quinoline?
2-(2,3-dimethylimidazol-4-yl)-4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]quinoline has a molecular weight of 363.51 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylimidazol-4-yl)-4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]quinoline is sourced from PubChem (CID 169421949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).