1-(7-methyl-1H-indol-3-yl)isoquinoline

C18H14N2 — CID 118449722

IUPAC1-(7-methyl-1H-indol-3-yl)isoquinoline
SMILESCc1cccc2c(-c3nccc4ccccc34)c[nH]c12
InChIInChI=1S/C18H14N2/c1-12-5-4-8-15-16(11-20-17(12)15)18-14-7-3-2-6-13(14)9-10-19-18/h2-11,20H,1H3
InChIKeyGBRNBKSEAPCUIW-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.69
Rot. Bonds1

About 1-(7-methyl-1H-indol-3-yl)isoquinoline

1-(7-methyl-1H-indol-3-yl)isoquinoline (PubChem CID 118449722) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(7-methyl-1H-indol-3-yl)isoquinoline.

Molecular Properties

Compound Name1-(7-methyl-1H-indol-3-yl)isoquinoline
PubChem CID118449722
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name1-(7-methyl-1H-indol-3-yl)isoquinoline
SMILESCc1cccc2c(-c3nccc4ccccc34)c[nH]c12
InChIInChI=1S/C18H14N2/c1-12-5-4-8-15-16(11-20-17(12)15)18-14-7-3-2-6-13(14)9-10-19-18/h2-11,20H,1H3
InChIKeyGBRNBKSEAPCUIW-UHFFFAOYSA-N
XLogP4.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1H-indol-3-yl)isoquinoline?
The IUPAC name of 1-(7-methyl-1H-indol-3-yl)isoquinoline (CID 118449722) is 1-(7-methyl-1H-indol-3-yl)isoquinoline.
What is the SMILES notation for 1-(7-methyl-1H-indol-3-yl)isoquinoline?
The canonical SMILES for 1-(7-methyl-1H-indol-3-yl)isoquinoline is Cc1cccc2c(-c3nccc4ccccc34)c[nH]c12.
What is the InChIKey of 1-(7-methyl-1H-indol-3-yl)isoquinoline?
The InChIKey is GBRNBKSEAPCUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-12-5-4-8-15-16(11-20-17(12)15)18-14-7-3-2-6-13(14)9-10-19-18/h2-11,20H,1H3.
What are the key properties of 1-(7-methyl-1H-indol-3-yl)isoquinoline?
1-(7-methyl-1H-indol-3-yl)isoquinoline has a molecular weight of 258.32 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1H-indol-3-yl)isoquinoline is sourced from PubChem (CID 118449722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).