1-(1H-indol-3-ylmethyl)isoquinoline

C18H14N2 — CID 24973276

IUPAC1-(1H-indol-3-ylmethyl)isoquinoline
SMILESc1ccc2c(Cc3c[nH]c4ccccc34)nccc2c1
InChIInChI=1S/C18H14N2/c1-2-6-15-13(5-1)9-10-19-18(15)11-14-12-20-17-8-4-3-7-16(14)17/h1-10,12,20H,11H2
InChIKeyBWVQQRJMPDWLOK-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.31
Rot. Bonds2

About 1-(1H-indol-3-ylmethyl)isoquinoline

1-(1H-indol-3-ylmethyl)isoquinoline (PubChem CID 24973276) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(1H-indol-3-ylmethyl)isoquinoline.

Molecular Properties

Compound Name1-(1H-indol-3-ylmethyl)isoquinoline
PubChem CID24973276
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name1-(1H-indol-3-ylmethyl)isoquinoline
SMILESc1ccc2c(Cc3c[nH]c4ccccc34)nccc2c1
InChIInChI=1S/C18H14N2/c1-2-6-15-13(5-1)9-10-19-18(15)11-14-12-20-17-8-4-3-7-16(14)17/h1-10,12,20H,11H2
InChIKeyBWVQQRJMPDWLOK-UHFFFAOYSA-N
XLogP4.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[2-(isoquinolin-1-ylmethyl)phenyl]methyl]isoquinoline
CID 23631798
3-[(4-methyl-2-pyridinyl)methyl]-1H-indole
CID 23967759
3-[2-(2-chloropyrimidin-4-yl)ethyl]-1H-indole
CID 11253902
1-(1H-imidazol-5-ylmethyl)isoquinoline;dihydrochloride
CID 23499199
5-(1H-indol-3-ylmethyl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 10728167
5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 15646289
CID 135044640
CID 135044640
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
1-[(4-ethylphenyl)methyl]isoquinoline
CID 59715703
1H-indol-3-ylmethylphosphane;hydrochloride
CID 173452856
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
1H-indol-3-ylmethyl(dimethyl)azanium chloride
CID 45033090

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-ylmethyl)isoquinoline?
The IUPAC name of 1-(1H-indol-3-ylmethyl)isoquinoline (CID 24973276) is 1-(1H-indol-3-ylmethyl)isoquinoline.
What is the SMILES notation for 1-(1H-indol-3-ylmethyl)isoquinoline?
The canonical SMILES for 1-(1H-indol-3-ylmethyl)isoquinoline is c1ccc2c(Cc3c[nH]c4ccccc34)nccc2c1.
What is the InChIKey of 1-(1H-indol-3-ylmethyl)isoquinoline?
The InChIKey is BWVQQRJMPDWLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-2-6-15-13(5-1)9-10-19-18(15)11-14-12-20-17-8-4-3-7-16(14)17/h1-10,12,20H,11H2.
What are the key properties of 1-(1H-indol-3-ylmethyl)isoquinoline?
1-(1H-indol-3-ylmethyl)isoquinoline has a molecular weight of 258.32 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-ylmethyl)isoquinoline is sourced from PubChem (CID 24973276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).