(6aS,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[3,2-b]quinoxaline

C14H15N3 — CID 95386962

IUPAC(6aS,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[3,2-b]quinoxaline
SMILESc1ccc2nc3c(nc2c1)N[C@H]1CCCC[C@@H]31
InChIInChI=1S/C14H15N3/c1-2-6-10-9(5-1)13-14(16-10)17-12-8-4-3-7-11(12)15-13/h3-4,7-10H,1-2,5-6H2,(H,16,17)/t9-,10+/m1/s1
InChIKeyJPAYPHOFODBTKF-ZJUUUORDSA-N
MW225.30 g/mol
LogP3.08
Rot. Bonds

About (6aS,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[3,2-b]quinoxaline

(6aS,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[3,2-b]quinoxaline (PubChem CID 95386962) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is (6aS,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name(6aS,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[3,2-b]quinoxaline
PubChem CID95386962
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name(6aS,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[3,2-b]quinoxaline
SMILESc1ccc2nc3c(nc2c1)N[C@H]1CCCC[C@@H]31
InChIInChI=1S/C14H15N3/c1-2-6-10-9(5-1)13-14(16-10)17-12-8-4-3-7-11(12)15-13/h3-4,7-10H,1-2,5-6H2,(H,16,17)/t9-,10+/m1/s1
InChIKeyJPAYPHOFODBTKF-ZJUUUORDSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6aS,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[3,2-b]quinoxaline 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 (6aS,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[3,2-b]quinoxaline?
The IUPAC name of (6aS,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[3,2-b]quinoxaline (CID 95386962) is (6aS,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[3,2-b]quinoxaline.
What is the SMILES notation for (6aS,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[3,2-b]quinoxaline?
The canonical SMILES for (6aS,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[3,2-b]quinoxaline is c1ccc2nc3c(nc2c1)N[C@H]1CCCC[C@@H]31.
What is the InChIKey of (6aS,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[3,2-b]quinoxaline?
The InChIKey is JPAYPHOFODBTKF-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-6-10-9(5-1)13-14(16-10)17-12-8-4-3-7-11(12)15-13/h3-4,7-10H,1-2,5-6H2,(H,16,17)/t9-,10+/m1/s1.
What are the key properties of (6aS,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[3,2-b]quinoxaline?
(6aS,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[3,2-b]quinoxaline has a molecular weight of 225.30 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,10aR)-6a,7,8,9,10,10a-hexahydro-6H-indolo[3,2-b]quinoxaline is sourced from PubChem (CID 95386962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).