3-methyl-2-(4-methylpiperazin-1-yl)-4-phenylquinoline

C21H23N3 — CID 10495722

IUPAC3-methyl-2-(4-methylpiperazin-1-yl)-4-phenylquinoline
SMILESCc1c(N2CCN(C)CC2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C21H23N3/c1-16-20(17-8-4-3-5-9-17)18-10-6-7-11-19(18)22-21(16)24-14-12-23(2)13-15-24/h3-11H,12-15H2,1-2H3
InChIKeyWFMWPHYXUBSZKS-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.96
Rot. Bonds2

About 3-methyl-2-(4-methylpiperazin-1-yl)-4-phenylquinoline

3-methyl-2-(4-methylpiperazin-1-yl)-4-phenylquinoline (PubChem CID 10495722) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-methyl-2-(4-methylpiperazin-1-yl)-4-phenylquinoline.

Molecular Properties

Compound Name3-methyl-2-(4-methylpiperazin-1-yl)-4-phenylquinoline
PubChem CID10495722
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name3-methyl-2-(4-methylpiperazin-1-yl)-4-phenylquinoline
SMILESCc1c(N2CCN(C)CC2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C21H23N3/c1-16-20(17-8-4-3-5-9-17)18-10-6-7-11-19(18)22-21(16)24-14-12-23(2)13-15-24/h3-11H,12-15H2,1-2H3
InChIKeyWFMWPHYXUBSZKS-UHFFFAOYSA-N
XLogP3.96
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylpiperazin-1-yl)-4-phenylquinoline?
The IUPAC name of 3-methyl-2-(4-methylpiperazin-1-yl)-4-phenylquinoline (CID 10495722) is 3-methyl-2-(4-methylpiperazin-1-yl)-4-phenylquinoline.
What is the SMILES notation for 3-methyl-2-(4-methylpiperazin-1-yl)-4-phenylquinoline?
The canonical SMILES for 3-methyl-2-(4-methylpiperazin-1-yl)-4-phenylquinoline is Cc1c(N2CCN(C)CC2)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of 3-methyl-2-(4-methylpiperazin-1-yl)-4-phenylquinoline?
The InChIKey is WFMWPHYXUBSZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-16-20(17-8-4-3-5-9-17)18-10-6-7-11-19(18)22-21(16)24-14-12-23(2)13-15-24/h3-11H,12-15H2,1-2H3.
What are the key properties of 3-methyl-2-(4-methylpiperazin-1-yl)-4-phenylquinoline?
3-methyl-2-(4-methylpiperazin-1-yl)-4-phenylquinoline has a molecular weight of 317.44 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylpiperazin-1-yl)-4-phenylquinoline is sourced from PubChem (CID 10495722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).