3-chloro-2-methyl-4-piperazin-1-yl-7-(trifluoromethoxy)quinoline

C15H15ClF3N3O — CID 121236413

IUPAC3-chloro-2-methyl-4-piperazin-1-yl-7-(trifluoromethoxy)quinoline
SMILESCc1nc2cc(OC(F)(F)F)ccc2c(N2CCNCC2)c1Cl
InChIInChI=1S/C15H15ClF3N3O/c1-9-13(16)14(22-6-4-20-5-7-22)11-3-2-10(8-12(11)21-9)23-15(17,18)19/h2-3,8,20H,4-7H2,1H3
InChIKeyOGZTUXGILWAXSL-UHFFFAOYSA-N
MW345.75 g/mol
LogP3.50
Rot. Bonds2

About 3-chloro-2-methyl-4-piperazin-1-yl-7-(trifluoromethoxy)quinoline

3-chloro-2-methyl-4-piperazin-1-yl-7-(trifluoromethoxy)quinoline (PubChem CID 121236413) has the molecular formula C15H15ClF3N3O and a molecular weight of 345.75 g/mol. Its IUPAC name is 3-chloro-2-methyl-4-piperazin-1-yl-7-(trifluoromethoxy)quinoline.

Molecular Properties

Compound Name3-chloro-2-methyl-4-piperazin-1-yl-7-(trifluoromethoxy)quinoline
PubChem CID121236413
Molecular FormulaC15H15ClF3N3O
Molecular Weight345.75 g/mol
Exact Mass345.09
IUPAC Name3-chloro-2-methyl-4-piperazin-1-yl-7-(trifluoromethoxy)quinoline
SMILESCc1nc2cc(OC(F)(F)F)ccc2c(N2CCNCC2)c1Cl
InChIInChI=1S/C15H15ClF3N3O/c1-9-13(16)14(22-6-4-20-5-7-22)11-3-2-10(8-12(11)21-9)23-15(17,18)19/h2-3,8,20H,4-7H2,1H3
InChIKeyOGZTUXGILWAXSL-UHFFFAOYSA-N
XLogP3.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236507
3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline
CID 121236492
3-chloro-2-methyl-4-piperazin-1-yl-8-(trifluoromethoxy)quinoline
CID 121236417
3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236420
2-methyl-5-piperazin-1-yl-9-(trifluoromethoxy)-[1,2,4]triazolo[1,5-c]quinazoline;hydrochloride
CID 66685041
3,7-dichloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236144
3-chloro-5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236453
1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 121226455
7-methoxy-4-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237212
3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline
CID 121236184
1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride
CID 86618922

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-4-piperazin-1-yl-7-(trifluoromethoxy)quinoline?
The IUPAC name of 3-chloro-2-methyl-4-piperazin-1-yl-7-(trifluoromethoxy)quinoline (CID 121236413) is 3-chloro-2-methyl-4-piperazin-1-yl-7-(trifluoromethoxy)quinoline.
What is the SMILES notation for 3-chloro-2-methyl-4-piperazin-1-yl-7-(trifluoromethoxy)quinoline?
The canonical SMILES for 3-chloro-2-methyl-4-piperazin-1-yl-7-(trifluoromethoxy)quinoline is Cc1nc2cc(OC(F)(F)F)ccc2c(N2CCNCC2)c1Cl.
What is the InChIKey of 3-chloro-2-methyl-4-piperazin-1-yl-7-(trifluoromethoxy)quinoline?
The InChIKey is OGZTUXGILWAXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O/c1-9-13(16)14(22-6-4-20-5-7-22)11-3-2-10(8-12(11)21-9)23-15(17,18)19/h2-3,8,20H,4-7H2,1H3.
What are the key properties of 3-chloro-2-methyl-4-piperazin-1-yl-7-(trifluoromethoxy)quinoline?
3-chloro-2-methyl-4-piperazin-1-yl-7-(trifluoromethoxy)quinoline has a molecular weight of 345.75 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-4-piperazin-1-yl-7-(trifluoromethoxy)quinoline is sourced from PubChem (CID 121236413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).