6-propoxy-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline

C16H19N3O — CID 133394692

IUPAC6-propoxy-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCCCOc1ccc2c(c1)CCN(c1cnccn1)C2
InChIInChI=1S/C16H19N3O/c1-2-9-20-15-4-3-14-12-19(8-5-13(14)10-15)16-11-17-6-7-18-16/h3-4,6-7,10-11H,2,5,8-9,12H2,1H3
InChIKeyXGTYNBMUBVGBBM-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.83
Rot. Bonds4

About 6-propoxy-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline

6-propoxy-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 133394692) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-propoxy-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-propoxy-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID133394692
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name6-propoxy-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCCCOc1ccc2c(c1)CCN(c1cnccn1)C2
InChIInChI=1S/C16H19N3O/c1-2-9-20-15-4-3-14-12-19(8-5-13(14)10-15)16-11-17-6-7-18-16/h3-4,6-7,10-11H,2,5,8-9,12H2,1H3
InChIKeyXGTYNBMUBVGBBM-UHFFFAOYSA-N
XLogP2.83
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propoxy-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-propoxy-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline (CID 133394692) is 6-propoxy-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-propoxy-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-propoxy-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline is CCCOc1ccc2c(c1)CCN(c1cnccn1)C2.
What is the InChIKey of 6-propoxy-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is XGTYNBMUBVGBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-9-20-15-4-3-14-12-19(8-5-13(14)10-15)16-11-17-6-7-18-16/h3-4,6-7,10-11H,2,5,8-9,12H2,1H3.
What are the key properties of 6-propoxy-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline?
6-propoxy-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 269.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 133394692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).