(4R)-7-chloro-4,6,10-trimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole

C14H17ClN2 — CID 59012635

IUPAC(4R)-7-chloro-4,6,10-trimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCc1c2n(c3c(C)c(Cl)ccc13)[C@H](C)CNC2
InChIInChI=1S/C14H17ClN2/c1-8-6-16-7-13-9(2)11-4-5-12(15)10(3)14(11)17(8)13/h4-5,8,16H,6-7H2,1-3H3/t8-/m1/s1
InChIKeyVXDGVUNKJPABSV-MRVPVSSYSA-N
MW248.76 g/mol
LogP3.58
Rot. Bonds

About (4R)-7-chloro-4,6,10-trimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole

(4R)-7-chloro-4,6,10-trimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole (PubChem CID 59012635) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is (4R)-7-chloro-4,6,10-trimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name(4R)-7-chloro-4,6,10-trimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
PubChem CID59012635
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name(4R)-7-chloro-4,6,10-trimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCc1c2n(c3c(C)c(Cl)ccc13)[C@H](C)CNC2
InChIInChI=1S/C14H17ClN2/c1-8-6-16-7-13-9(2)11-4-5-12(15)10(3)14(11)17(8)13/h4-5,8,16H,6-7H2,1-3H3/t8-/m1/s1
InChIKeyVXDGVUNKJPABSV-MRVPVSSYSA-N
XLogP3.58
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-7-chloro-4,6,10-trimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-7-chloro-4,6,10-trimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The IUPAC name of (4R)-7-chloro-4,6,10-trimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole (CID 59012635) is (4R)-7-chloro-4,6,10-trimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole.
What is the SMILES notation for (4R)-7-chloro-4,6,10-trimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The canonical SMILES for (4R)-7-chloro-4,6,10-trimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole is Cc1c2n(c3c(C)c(Cl)ccc13)[C@H](C)CNC2.
What is the InChIKey of (4R)-7-chloro-4,6,10-trimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The InChIKey is VXDGVUNKJPABSV-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-8-6-16-7-13-9(2)11-4-5-12(15)10(3)14(11)17(8)13/h4-5,8,16H,6-7H2,1-3H3/t8-/m1/s1.
What are the key properties of (4R)-7-chloro-4,6,10-trimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
(4R)-7-chloro-4,6,10-trimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole has a molecular weight of 248.76 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-chloro-4,6,10-trimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole is sourced from PubChem (CID 59012635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).