5-(3,5-dimethylpiperazin-1-yl)-2-methylquinoline

C16H21N3 — CID 72527043

IUPAC5-(3,5-dimethylpiperazin-1-yl)-2-methylquinoline
SMILESCc1ccc2c(N3CC(C)NC(C)C3)cccc2n1
InChIInChI=1S/C16H21N3/c1-11-7-8-14-15(18-11)5-4-6-16(14)19-9-12(2)17-13(3)10-19/h4-8,12-13,17H,9-10H2,1-3H3
InChIKeyFQGFRDAEVGEBFJ-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.73
Rot. Bonds1

About 5-(3,5-dimethylpiperazin-1-yl)-2-methylquinoline

5-(3,5-dimethylpiperazin-1-yl)-2-methylquinoline (PubChem CID 72527043) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperazin-1-yl)-2-methylquinoline.

Molecular Properties

Compound Name5-(3,5-dimethylpiperazin-1-yl)-2-methylquinoline
PubChem CID72527043
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name5-(3,5-dimethylpiperazin-1-yl)-2-methylquinoline
SMILESCc1ccc2c(N3CC(C)NC(C)C3)cccc2n1
InChIInChI=1S/C16H21N3/c1-11-7-8-14-15(18-11)5-4-6-16(14)19-9-12(2)17-13(3)10-19/h4-8,12-13,17H,9-10H2,1-3H3
InChIKeyFQGFRDAEVGEBFJ-UHFFFAOYSA-N
XLogP2.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 5-(3,5-dimethylpiperazin-1-yl)-2-methylquinoline?
The IUPAC name of 5-(3,5-dimethylpiperazin-1-yl)-2-methylquinoline (CID 72527043) is 5-(3,5-dimethylpiperazin-1-yl)-2-methylquinoline.
What is the SMILES notation for 5-(3,5-dimethylpiperazin-1-yl)-2-methylquinoline?
The canonical SMILES for 5-(3,5-dimethylpiperazin-1-yl)-2-methylquinoline is Cc1ccc2c(N3CC(C)NC(C)C3)cccc2n1.
What is the InChIKey of 5-(3,5-dimethylpiperazin-1-yl)-2-methylquinoline?
The InChIKey is FQGFRDAEVGEBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-7-8-14-15(18-11)5-4-6-16(14)19-9-12(2)17-13(3)10-19/h4-8,12-13,17H,9-10H2,1-3H3.
What are the key properties of 5-(3,5-dimethylpiperazin-1-yl)-2-methylquinoline?
5-(3,5-dimethylpiperazin-1-yl)-2-methylquinoline has a molecular weight of 255.37 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperazin-1-yl)-2-methylquinoline is sourced from PubChem (CID 72527043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).