4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride

C21H24ClN3 — CID 42887250

IUPAC4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride
SMILESCc1cc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12.Cl
InChIInChI=1S/C21H23N3.ClH/c1-16-15-21(22-20-6-4-3-5-19(16)20)17-7-9-18(10-8-17)24-13-11-23(2)12-14-24;/h3-10,15H,11-14H2,1-2H3;1H
InChIKeyMLNVPGORUZNTAQ-UHFFFAOYSA-N
MW353.90 g/mol
LogP4.38
Rot. Bonds2

About 4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride

4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride (PubChem CID 42887250) has the molecular formula C21H24ClN3 and a molecular weight of 353.90 g/mol. Its IUPAC name is 4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride
PubChem CID42887250
Molecular FormulaC21H24ClN3
Molecular Weight353.90 g/mol
Exact Mass353.17
IUPAC Name4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride
SMILESCc1cc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12.Cl
InChIInChI=1S/C21H23N3.ClH/c1-16-15-21(22-20-6-4-3-5-19(16)20)17-7-9-18(10-8-17)24-13-11-23(2)12-14-24;/h3-10,15H,11-14H2,1-2H3;1H
InChIKeyMLNVPGORUZNTAQ-UHFFFAOYSA-N
XLogP4.38
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride?
The IUPAC name of 4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride (CID 42887250) is 4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride.
What is the SMILES notation for 4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride?
The canonical SMILES for 4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride is Cc1cc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12.Cl.
What is the InChIKey of 4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride?
The InChIKey is MLNVPGORUZNTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3.ClH/c1-16-15-21(22-20-6-4-3-5-19(16)20)17-7-9-18(10-8-17)24-13-11-23(2)12-14-24;/h3-10,15H,11-14H2,1-2H3;1H.
What are the key properties of 4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride?
4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride has a molecular weight of 353.90 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride is sourced from PubChem (CID 42887250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).