6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline

C18H17N3 — CID 68996107

IUPAC6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline
SMILESCN1Cc2ccccc2C(c2ccc3nccnc3c2)C1
InChIInChI=1S/C18H17N3/c1-21-11-14-4-2-3-5-15(14)16(12-21)13-6-7-17-18(10-13)20-9-8-19-17/h2-10,16H,11-12H2,1H3
InChIKeyWKGTXIDZJLADLA-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.21
Rot. Bonds1

About 6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline

6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline (PubChem CID 68996107) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline.

Molecular Properties

Compound Name6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline
PubChem CID68996107
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline
SMILESCN1Cc2ccccc2C(c2ccc3nccnc3c2)C1
InChIInChI=1S/C18H17N3/c1-21-11-14-4-2-3-5-15(14)16(12-21)13-6-7-17-18(10-13)20-9-8-19-17/h2-10,16H,11-12H2,1H3
InChIKeyWKGTXIDZJLADLA-UHFFFAOYSA-N
XLogP3.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline?
The IUPAC name of 6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline (CID 68996107) is 6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline.
What is the SMILES notation for 6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline?
The canonical SMILES for 6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline is CN1Cc2ccccc2C(c2ccc3nccnc3c2)C1.
What is the InChIKey of 6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline?
The InChIKey is WKGTXIDZJLADLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-21-11-14-4-2-3-5-15(14)16(12-21)13-6-7-17-18(10-13)20-9-8-19-17/h2-10,16H,11-12H2,1H3.
What are the key properties of 6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline?
6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline has a molecular weight of 275.36 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline is sourced from PubChem (CID 68996107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).