9-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole

C12H13ClN2O — CID 96594157

IUPAC9-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCOc1ccc2c(cc3n2CCNC3)c1Cl
InChIInChI=1S/C12H13ClN2O/c1-16-11-3-2-10-9(12(11)13)6-8-7-14-4-5-15(8)10/h2-3,6,14H,4-5,7H2,1H3
InChIKeyPDDYMPUZOSFFSJ-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.41
Rot. Bonds1

About 9-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole

9-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole (PubChem CID 96594157) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 9-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name9-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole
PubChem CID96594157
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name9-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCOc1ccc2c(cc3n2CCNC3)c1Cl
InChIInChI=1S/C12H13ClN2O/c1-16-11-3-2-10-9(12(11)13)6-8-7-14-4-5-15(8)10/h2-3,6,14H,4-5,7H2,1H3
InChIKeyPDDYMPUZOSFFSJ-UHFFFAOYSA-N
XLogP2.41
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8,9-dimethoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 96598907
10-chloro-8-fluoro-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84624659
7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
CID 84742786
6-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 82391201
1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-amine
CID 144723256
6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
CID 84740760
methyl 4-chloro-5-methoxy-1-methylindole-2-carboxylate
CID 130408728
6-methoxy-9,10-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84626274
6-iodo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 135129321
1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
CID 82411599
9-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole;hydrochloride
CID 67701046
1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine
CID 117458592

Frequently Asked Questions

What is the IUPAC name of 9-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The IUPAC name of 9-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole (CID 96594157) is 9-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole.
What is the SMILES notation for 9-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The canonical SMILES for 9-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole is COc1ccc2c(cc3n2CCNC3)c1Cl.
What is the InChIKey of 9-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The InChIKey is PDDYMPUZOSFFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-16-11-3-2-10-9(12(11)13)6-8-7-14-4-5-15(8)10/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of 9-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
9-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole has a molecular weight of 236.70 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole is sourced from PubChem (CID 96594157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).