1-(2,3-dihydro-1H-indol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline

C18H21N3 — CID 80567239

IUPAC1-(2,3-dihydro-1H-indol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(CC2CNc3ccccc32)c2ccccc21
InChIInChI=1S/C18H21N3/c1-20-10-11-21(18-9-5-4-8-17(18)20)13-14-12-19-16-7-3-2-6-15(14)16/h2-9,14,19H,10-13H2,1H3
InChIKeyGMVSCFZRDPJIEG-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.15
Rot. Bonds2

About 1-(2,3-dihydro-1H-indol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline

1-(2,3-dihydro-1H-indol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline (PubChem CID 80567239) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline
PubChem CID80567239
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1-(2,3-dihydro-1H-indol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(CC2CNc3ccccc32)c2ccccc21
InChIInChI=1S/C18H21N3/c1-20-10-11-21(18-9-5-4-8-17(18)20)13-14-12-19-16-7-3-2-6-15(14)16/h2-9,14,19H,10-13H2,1H3
InChIKeyGMVSCFZRDPJIEG-UHFFFAOYSA-N
XLogP3.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline?
The IUPAC name of 1-(2,3-dihydro-1H-indol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline (CID 80567239) is 1-(2,3-dihydro-1H-indol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline is CN1CCN(CC2CNc3ccccc32)c2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline?
The InChIKey is GMVSCFZRDPJIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-20-10-11-21(18-9-5-4-8-17(18)20)13-14-12-19-16-7-3-2-6-15(14)16/h2-9,14,19H,10-13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline?
1-(2,3-dihydro-1H-indol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline has a molecular weight of 279.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 80567239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).