6-naphthalen-2-ylisoquinoline

C19H13N — CID 59724414

IUPAC6-naphthalen-2-ylisoquinoline
SMILESc1ccc2cc(-c3ccc4cnccc4c3)ccc2c1
InChIInChI=1S/C19H13N/c1-2-4-15-11-16(6-5-14(15)3-1)17-7-8-19-13-20-10-9-18(19)12-17/h1-13H
InChIKeyGHULLFJRFUQDBQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP5.05
Rot. Bonds1

About 6-naphthalen-2-ylisoquinoline

6-naphthalen-2-ylisoquinoline (PubChem CID 59724414) has the molecular formula C19H13N and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-naphthalen-2-ylisoquinoline.

Molecular Properties

Compound Name6-naphthalen-2-ylisoquinoline
PubChem CID59724414
Molecular FormulaC19H13N
Molecular Weight255.32 g/mol
Exact Mass255.10
IUPAC Name6-naphthalen-2-ylisoquinoline
SMILESc1ccc2cc(-c3ccc4cnccc4c3)ccc2c1
InChIInChI=1S/C19H13N/c1-2-4-15-11-16(6-5-14(15)3-1)17-7-8-19-13-20-10-9-18(19)12-17/h1-13H
InChIKeyGHULLFJRFUQDBQ-UHFFFAOYSA-N
XLogP5.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.32
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline
CID 154599146
7-(4-anthracen-2-yl-6-isoquinolin-7-yl-2-pyridinyl)isoquinoline
CID 154599160
7-[4-[3,5-bis(3-naphthalen-2-ylphenyl)phenyl]-6-isoquinolin-7-yl-1,3,5-triazin-2-yl]isoquinoline
CID 118582433
6-(2-anthracen-2-yl-6-isoquinolin-6-ylpyrimidin-4-yl)isoquinoline
CID 154599114
6-[2,6-di(anthracen-9-yl)-4-pyridinyl]isoquinoline
CID 154599243
9-azaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-heptadecaene
CID 91751532
isoquinoline;1,3,5-triazine
CID 175198893
ethane;isoquinoline;hydroiodide
CID 153349858
hydroxylamine;isoquinoline
CID 158472415
6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline
CID 121287378
2-isoquinolin-7-ylphenol
CID 68897209
dichloroiron;isoquinoline
CID 157065360

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-ylisoquinoline?
The IUPAC name of 6-naphthalen-2-ylisoquinoline (CID 59724414) is 6-naphthalen-2-ylisoquinoline.
What is the SMILES notation for 6-naphthalen-2-ylisoquinoline?
The canonical SMILES for 6-naphthalen-2-ylisoquinoline is c1ccc2cc(-c3ccc4cnccc4c3)ccc2c1.
What is the InChIKey of 6-naphthalen-2-ylisoquinoline?
The InChIKey is GHULLFJRFUQDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N/c1-2-4-15-11-16(6-5-14(15)3-1)17-7-8-19-13-20-10-9-18(19)12-17/h1-13H.
What are the key properties of 6-naphthalen-2-ylisoquinoline?
6-naphthalen-2-ylisoquinoline has a molecular weight of 255.32 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-ylisoquinoline is sourced from PubChem (CID 59724414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).