2-(3,4-dihydro-1H-isoquinolin-2-yl)benzo[cd]indole

C20H16N2 — CID 2327752

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)benzo[cd]indole
SMILESc1ccc2c(c1)CCN(C1=Nc3cccc4cccc1c34)C2
InChIInChI=1S/C20H16N2/c1-2-6-16-13-22(12-11-14(16)5-1)20-17-9-3-7-15-8-4-10-18(21-20)19(15)17/h1-10H,11-13H2
InChIKeyBJCHQZQRIBAABW-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.29
Rot. Bonds

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)benzo[cd]indole

2-(3,4-dihydro-1H-isoquinolin-2-yl)benzo[cd]indole (PubChem CID 2327752) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)benzo[cd]indole.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)benzo[cd]indole
PubChem CID2327752
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)benzo[cd]indole
SMILESc1ccc2c(c1)CCN(C1=Nc3cccc4cccc1c34)C2
InChIInChI=1S/C20H16N2/c1-2-6-16-13-22(12-11-14(16)5-1)20-17-9-3-7-15-8-4-10-18(21-20)19(15)17/h1-10H,11-13H2
InChIKeyBJCHQZQRIBAABW-UHFFFAOYSA-N
XLogP4.29
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)benzo[cd]indole?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)benzo[cd]indole (CID 2327752) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)benzo[cd]indole.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)benzo[cd]indole?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)benzo[cd]indole is c1ccc2c(c1)CCN(C1=Nc3cccc4cccc1c34)C2.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)benzo[cd]indole?
The InChIKey is BJCHQZQRIBAABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-2-6-16-13-22(12-11-14(16)5-1)20-17-9-3-7-15-8-4-10-18(21-20)19(15)17/h1-10H,11-13H2.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)benzo[cd]indole?
2-(3,4-dihydro-1H-isoquinolin-2-yl)benzo[cd]indole has a molecular weight of 284.36 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)benzo[cd]indole is sourced from PubChem (CID 2327752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).