1-(2H-quinolin-1-yl)isoquinoline

C18H14N2 — CID 91097773

IUPAC1-(2H-quinolin-1-yl)isoquinoline
SMILESC1=Cc2ccccc2N(c2nccc3ccccc23)C1
InChIInChI=1S/C18H14N2/c1-3-9-16-14(6-1)11-12-19-18(16)20-13-5-8-15-7-2-4-10-17(15)20/h1-12H,13H2
InChIKeyYJMXGLGHJJFHQZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.40
Rot. Bonds1

About 1-(2H-quinolin-1-yl)isoquinoline

1-(2H-quinolin-1-yl)isoquinoline (PubChem CID 91097773) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2H-quinolin-1-yl)isoquinoline.

Molecular Properties

Compound Name1-(2H-quinolin-1-yl)isoquinoline
PubChem CID91097773
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name1-(2H-quinolin-1-yl)isoquinoline
SMILESC1=Cc2ccccc2N(c2nccc3ccccc23)C1
InChIInChI=1S/C18H14N2/c1-3-9-16-14(6-1)11-12-19-18(16)20-13-5-8-15-7-2-4-10-17(15)20/h1-12H,13H2
InChIKeyYJMXGLGHJJFHQZ-UHFFFAOYSA-N
XLogP4.40
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-quinolin-1-yl)isoquinoline?
The IUPAC name of 1-(2H-quinolin-1-yl)isoquinoline (CID 91097773) is 1-(2H-quinolin-1-yl)isoquinoline.
What is the SMILES notation for 1-(2H-quinolin-1-yl)isoquinoline?
The canonical SMILES for 1-(2H-quinolin-1-yl)isoquinoline is C1=Cc2ccccc2N(c2nccc3ccccc23)C1.
What is the InChIKey of 1-(2H-quinolin-1-yl)isoquinoline?
The InChIKey is YJMXGLGHJJFHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-3-9-16-14(6-1)11-12-19-18(16)20-13-5-8-15-7-2-4-10-17(15)20/h1-12H,13H2.
What are the key properties of 1-(2H-quinolin-1-yl)isoquinoline?
1-(2H-quinolin-1-yl)isoquinoline has a molecular weight of 258.32 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-quinolin-1-yl)isoquinoline is sourced from PubChem (CID 91097773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).