3-chloro-2-methyl-4-piperazin-1-yl-8-(trifluoromethoxy)quinoline

C15H15ClF3N3O — CID 121236417

IUPAC3-chloro-2-methyl-4-piperazin-1-yl-8-(trifluoromethoxy)quinoline
SMILESCc1nc2c(OC(F)(F)F)cccc2c(N2CCNCC2)c1Cl
InChIInChI=1S/C15H15ClF3N3O/c1-9-12(16)14(22-7-5-20-6-8-22)10-3-2-4-11(13(10)21-9)23-15(17,18)19/h2-4,20H,5-8H2,1H3
InChIKeyFMROAIKAUUNDKJ-UHFFFAOYSA-N
MW345.75 g/mol
LogP3.50
Rot. Bonds2

About 3-chloro-2-methyl-4-piperazin-1-yl-8-(trifluoromethoxy)quinoline

3-chloro-2-methyl-4-piperazin-1-yl-8-(trifluoromethoxy)quinoline (PubChem CID 121236417) 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-8-(trifluoromethoxy)quinoline.

Molecular Properties

Compound Name3-chloro-2-methyl-4-piperazin-1-yl-8-(trifluoromethoxy)quinoline
PubChem CID121236417
Molecular FormulaC15H15ClF3N3O
Molecular Weight345.75 g/mol
Exact Mass345.09
IUPAC Name3-chloro-2-methyl-4-piperazin-1-yl-8-(trifluoromethoxy)quinoline
SMILESCc1nc2c(OC(F)(F)F)cccc2c(N2CCNCC2)c1Cl
InChIInChI=1S/C15H15ClF3N3O/c1-9-12(16)14(22-7-5-20-6-8-22)10-3-2-4-11(13(10)21-9)23-15(17,18)19/h2-4,20H,5-8H2,1H3
InChIKeyFMROAIKAUUNDKJ-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-2-methyl-4-piperazin-1-yl-7-(trifluoromethoxy)quinoline
CID 121236413
3,7-dichloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236144
3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236420
4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride
CID 121236574
3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline
CID 121236039
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
4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethoxy)quinoline
CID 171686337
N-methyl-1-(2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine
CID 10970771
1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride
CID 86618922
1,3-dimethyl-7-(trifluoromethoxy)indazole
CID 133055459
4,8-dimethoxy-2-piperazin-1-ylquinazoline
CID 139659464

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-4-piperazin-1-yl-8-(trifluoromethoxy)quinoline?
The IUPAC name of 3-chloro-2-methyl-4-piperazin-1-yl-8-(trifluoromethoxy)quinoline (CID 121236417) is 3-chloro-2-methyl-4-piperazin-1-yl-8-(trifluoromethoxy)quinoline.
What is the SMILES notation for 3-chloro-2-methyl-4-piperazin-1-yl-8-(trifluoromethoxy)quinoline?
The canonical SMILES for 3-chloro-2-methyl-4-piperazin-1-yl-8-(trifluoromethoxy)quinoline is Cc1nc2c(OC(F)(F)F)cccc2c(N2CCNCC2)c1Cl.
What is the InChIKey of 3-chloro-2-methyl-4-piperazin-1-yl-8-(trifluoromethoxy)quinoline?
The InChIKey is FMROAIKAUUNDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O/c1-9-12(16)14(22-7-5-20-6-8-22)10-3-2-4-11(13(10)21-9)23-15(17,18)19/h2-4,20H,5-8H2,1H3.
What are the key properties of 3-chloro-2-methyl-4-piperazin-1-yl-8-(trifluoromethoxy)quinoline?
3-chloro-2-methyl-4-piperazin-1-yl-8-(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-8-(trifluoromethoxy)quinoline is sourced from PubChem (CID 121236417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).