5-[(2,6-dimethoxyphenyl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline

C20H24N2O2 — CID 13342093

IUPAC5-[(2,6-dimethoxyphenyl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline
SMILESCOc1cccc(OC)c1CN1CC2CCCN2c2ccccc21
InChIInChI=1S/C20H24N2O2/c1-23-19-10-5-11-20(24-2)16(19)14-21-13-15-7-6-12-22(15)18-9-4-3-8-17(18)21/h3-5,8-11,15H,6-7,12-14H2,1-2H3
InChIKeyQKCOEFSFDPSCLN-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.69
Rot. Bonds4

About 5-[(2,6-dimethoxyphenyl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline

5-[(2,6-dimethoxyphenyl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline (PubChem CID 13342093) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 5-[(2,6-dimethoxyphenyl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name5-[(2,6-dimethoxyphenyl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline
PubChem CID13342093
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name5-[(2,6-dimethoxyphenyl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline
SMILESCOc1cccc(OC)c1CN1CC2CCCN2c2ccccc21
InChIInChI=1S/C20H24N2O2/c1-23-19-10-5-11-20(24-2)16(19)14-21-13-15-7-6-12-22(15)18-9-4-3-8-17(18)21/h3-5,8-11,15H,6-7,12-14H2,1-2H3
InChIKeyQKCOEFSFDPSCLN-UHFFFAOYSA-N
XLogP3.69
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethoxyphenyl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 5-[(2,6-dimethoxyphenyl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline (CID 13342093) is 5-[(2,6-dimethoxyphenyl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 5-[(2,6-dimethoxyphenyl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 5-[(2,6-dimethoxyphenyl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline is COc1cccc(OC)c1CN1CC2CCCN2c2ccccc21.
What is the InChIKey of 5-[(2,6-dimethoxyphenyl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline?
The InChIKey is QKCOEFSFDPSCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-23-19-10-5-11-20(24-2)16(19)14-21-13-15-7-6-12-22(15)18-9-4-3-8-17(18)21/h3-5,8-11,15H,6-7,12-14H2,1-2H3.
What are the key properties of 5-[(2,6-dimethoxyphenyl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline?
5-[(2,6-dimethoxyphenyl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline has a molecular weight of 324.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethoxyphenyl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 13342093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).