8-chloro-6-[4-chloro-3-(trifluoromethyl)phenyl]-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole

C19H15Cl2F3N2 — CID 141390521

IUPAC8-chloro-6-[4-chloro-3-(trifluoromethyl)phenyl]-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCc1c2n(c3c(-c4ccc(Cl)c(C(F)(F)F)c4)cc(Cl)cc13)CCNC2
InChIInChI=1S/C19H15Cl2F3N2/c1-10-13-7-12(20)8-14(18(13)26-5-4-25-9-17(10)26)11-2-3-16(21)15(6-11)19(22,23)24/h2-3,6-8,25H,4-5,9H2,1H3
InChIKeyOVIKCYVINUNLCK-UHFFFAOYSA-N
MW399.24 g/mol
LogP6.05
Rot. Bonds1

About 8-chloro-6-[4-chloro-3-(trifluoromethyl)phenyl]-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole

8-chloro-6-[4-chloro-3-(trifluoromethyl)phenyl]-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole (PubChem CID 141390521) has the molecular formula C19H15Cl2F3N2 and a molecular weight of 399.24 g/mol. Its IUPAC name is 8-chloro-6-[4-chloro-3-(trifluoromethyl)phenyl]-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name8-chloro-6-[4-chloro-3-(trifluoromethyl)phenyl]-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
PubChem CID141390521
Molecular FormulaC19H15Cl2F3N2
Molecular Weight399.24 g/mol
Exact Mass398.06
IUPAC Name8-chloro-6-[4-chloro-3-(trifluoromethyl)phenyl]-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCc1c2n(c3c(-c4ccc(Cl)c(C(F)(F)F)c4)cc(Cl)cc13)CCNC2
InChIInChI=1S/C19H15Cl2F3N2/c1-10-13-7-12(20)8-14(18(13)26-5-4-25-9-17(10)26)11-2-3-16(21)15(6-11)19(22,23)24/h2-3,6-8,25H,4-5,9H2,1H3
InChIKeyOVIKCYVINUNLCK-UHFFFAOYSA-N
XLogP6.05
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.24
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84620195
(3E)-3-[1-[5-chloro-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylphenyl]ethylidene]piperidin-2-one
CID 126661059
7-fluoro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84620202
8-chloro-6-(3-fluoro-4-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 157410447
6-(4-chlorophenyl)-8-fluoro-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-fluoro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 159133405
6,9,10-trimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84622037
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4301714
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165445
8-chloro-10-methyl-6-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 118341150
6-(4-chloro-3-fluorophenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
CID 90035836
2-(4-chloro-3-fluorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine
CID 57495900

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-[4-chloro-3-(trifluoromethyl)phenyl]-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The IUPAC name of 8-chloro-6-[4-chloro-3-(trifluoromethyl)phenyl]-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole (CID 141390521) is 8-chloro-6-[4-chloro-3-(trifluoromethyl)phenyl]-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole.
What is the SMILES notation for 8-chloro-6-[4-chloro-3-(trifluoromethyl)phenyl]-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The canonical SMILES for 8-chloro-6-[4-chloro-3-(trifluoromethyl)phenyl]-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole is Cc1c2n(c3c(-c4ccc(Cl)c(C(F)(F)F)c4)cc(Cl)cc13)CCNC2.
What is the InChIKey of 8-chloro-6-[4-chloro-3-(trifluoromethyl)phenyl]-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The InChIKey is OVIKCYVINUNLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2F3N2/c1-10-13-7-12(20)8-14(18(13)26-5-4-25-9-17(10)26)11-2-3-16(21)15(6-11)19(22,23)24/h2-3,6-8,25H,4-5,9H2,1H3.
What are the key properties of 8-chloro-6-[4-chloro-3-(trifluoromethyl)phenyl]-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
8-chloro-6-[4-chloro-3-(trifluoromethyl)phenyl]-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole has a molecular weight of 399.24 g/mol, XLogP of 6.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-[4-chloro-3-(trifluoromethyl)phenyl]-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole is sourced from PubChem (CID 141390521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).