3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride

C14H17Cl2N3 — CID 121236420

IUPAC3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1nc2ccccc2c(N2CCNCC2)c1Cl.Cl
InChIInChI=1S/C14H16ClN3.ClH/c1-10-13(15)14(18-8-6-16-7-9-18)11-4-2-3-5-12(11)17-10;/h2-5,16H,6-9H2,1H3;1H
InChIKeyGDVSDNIRQJMKJC-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.03
Rot. Bonds1

About 3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride

3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride (PubChem CID 121236420) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride.

Molecular Properties

Compound Name3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
PubChem CID121236420
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1nc2ccccc2c(N2CCNCC2)c1Cl.Cl
InChIInChI=1S/C14H16ClN3.ClH/c1-10-13(15)14(18-8-6-16-7-9-18)11-4-2-3-5-12(11)17-10;/h2-5,16H,6-9H2,1H3;1H
InChIKeyGDVSDNIRQJMKJC-UHFFFAOYSA-N
XLogP3.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The IUPAC name of 3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride (CID 121236420) is 3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride.
What is the SMILES notation for 3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The canonical SMILES for 3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride is Cc1nc2ccccc2c(N2CCNCC2)c1Cl.Cl.
What is the InChIKey of 3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The InChIKey is GDVSDNIRQJMKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3.ClH/c1-10-13(15)14(18-8-6-16-7-9-18)11-4-2-3-5-12(11)17-10;/h2-5,16H,6-9H2,1H3;1H.
What are the key properties of 3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride has a molecular weight of 298.22 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride is sourced from PubChem (CID 121236420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).