4-(1H-indol-6-yl)-7-(6-methoxypyrazin-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

C23H22N4O — CID 68997839

IUPAC4-(1H-indol-6-yl)-7-(6-methoxypyrazin-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cncc(-c2ccc3c(c2)CN(C)CC3c2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C23H22N4O/c1-27-13-18-9-17(22-11-24-12-23(26-22)28-2)5-6-19(18)20(14-27)16-4-3-15-7-8-25-21(15)10-16/h3-12,20,25H,13-14H2,1-2H3
InChIKeyJMJYDTIRGHLCHH-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.21
Rot. Bonds3

About 4-(1H-indol-6-yl)-7-(6-methoxypyrazin-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

4-(1H-indol-6-yl)-7-(6-methoxypyrazin-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 68997839) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-(1H-indol-6-yl)-7-(6-methoxypyrazin-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(1H-indol-6-yl)-7-(6-methoxypyrazin-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID68997839
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name4-(1H-indol-6-yl)-7-(6-methoxypyrazin-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cncc(-c2ccc3c(c2)CN(C)CC3c2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C23H22N4O/c1-27-13-18-9-17(22-11-24-12-23(26-22)28-2)5-6-19(18)20(14-27)16-4-3-15-7-8-25-21(15)10-16/h3-12,20,25H,13-14H2,1-2H3
InChIKeyJMJYDTIRGHLCHH-UHFFFAOYSA-N
XLogP4.21
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-6-yl)-7-(6-methoxypyrazin-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(1H-indol-6-yl)-7-(6-methoxypyrazin-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 68997839) is 4-(1H-indol-6-yl)-7-(6-methoxypyrazin-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(1H-indol-6-yl)-7-(6-methoxypyrazin-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(1H-indol-6-yl)-7-(6-methoxypyrazin-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is COc1cncc(-c2ccc3c(c2)CN(C)CC3c2ccc3cc[nH]c3c2)n1.
What is the InChIKey of 4-(1H-indol-6-yl)-7-(6-methoxypyrazin-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is JMJYDTIRGHLCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-27-13-18-9-17(22-11-24-12-23(26-22)28-2)5-6-19(18)20(14-27)16-4-3-15-7-8-25-21(15)10-16/h3-12,20,25H,13-14H2,1-2H3.
What are the key properties of 4-(1H-indol-6-yl)-7-(6-methoxypyrazin-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
4-(1H-indol-6-yl)-7-(6-methoxypyrazin-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 370.46 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-6-yl)-7-(6-methoxypyrazin-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68997839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).