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

C21H22ClN3 — CID 10861098

IUPAC4-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline
SMILESCN1CCN(Cc2ccc(-c3cc(Cl)c4ccccc4n3)cc2)CC1
InChIInChI=1S/C21H22ClN3/c1-24-10-12-25(13-11-24)15-16-6-8-17(9-7-16)21-14-19(22)18-4-2-3-5-20(18)23-21/h2-9,14H,10-13,15H2,1H3
InChIKeyGQCYSXMUTZSUPY-UHFFFAOYSA-N
MW351.88 g/mol
LogP4.30
Rot. Bonds3

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

4-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline (PubChem CID 10861098) has the molecular formula C21H22ClN3 and a molecular weight of 351.88 g/mol. Its IUPAC name is 4-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline.

Molecular Properties

Compound Name4-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline
PubChem CID10861098
Molecular FormulaC21H22ClN3
Molecular Weight351.88 g/mol
Exact Mass351.15
IUPAC Name4-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline
SMILESCN1CCN(Cc2ccc(-c3cc(Cl)c4ccccc4n3)cc2)CC1
InChIInChI=1S/C21H22ClN3/c1-24-10-12-25(13-11-24)15-16-6-8-17(9-7-16)21-14-19(22)18-4-2-3-5-20(18)23-21/h2-9,14H,10-13,15H2,1H3
InChIKeyGQCYSXMUTZSUPY-UHFFFAOYSA-N
XLogP4.30
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline?
The IUPAC name of 4-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline (CID 10861098) is 4-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline.
What is the SMILES notation for 4-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline?
The canonical SMILES for 4-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline is CN1CCN(Cc2ccc(-c3cc(Cl)c4ccccc4n3)cc2)CC1.
What is the InChIKey of 4-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline?
The InChIKey is GQCYSXMUTZSUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3/c1-24-10-12-25(13-11-24)15-16-6-8-17(9-7-16)21-14-19(22)18-4-2-3-5-20(18)23-21/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 4-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline?
4-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline has a molecular weight of 351.88 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline is sourced from PubChem (CID 10861098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).