N-naphthalen-1-ylisoquinolin-1-amine

C19H14N2 — CID 3677376

IUPACN-naphthalen-1-ylisoquinolin-1-amine
SMILESc1ccc2c(Nc3nccc4ccccc34)cccc2c1
InChIInChI=1S/C19H14N2/c1-3-9-16-14(6-1)8-5-11-18(16)21-19-17-10-4-2-7-15(17)12-13-20-19/h1-13H,(H,20,21)
InChIKeySOSNWUXFTFJKDI-UHFFFAOYSA-N
MW270.34 g/mol
LogP5.13
Rot. Bonds2

About N-naphthalen-1-ylisoquinolin-1-amine

N-naphthalen-1-ylisoquinolin-1-amine (PubChem CID 3677376) has the molecular formula C19H14N2 and a molecular weight of 270.34 g/mol. Its IUPAC name is N-naphthalen-1-ylisoquinolin-1-amine.

Molecular Properties

Compound NameN-naphthalen-1-ylisoquinolin-1-amine
PubChem CID3677376
Molecular FormulaC19H14N2
Molecular Weight270.34 g/mol
Exact Mass270.12
IUPAC NameN-naphthalen-1-ylisoquinolin-1-amine
SMILESc1ccc2c(Nc3nccc4ccccc34)cccc2c1
InChIInChI=1S/C19H14N2/c1-3-9-16-14(6-1)8-5-11-18(16)21-19-17-10-4-2-7-15(17)12-13-20-19/h1-13H,(H,20,21)
InChIKeySOSNWUXFTFJKDI-UHFFFAOYSA-N
XLogP5.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.34
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-ylisoquinolin-1-amine?
The IUPAC name of N-naphthalen-1-ylisoquinolin-1-amine (CID 3677376) is N-naphthalen-1-ylisoquinolin-1-amine.
What is the SMILES notation for N-naphthalen-1-ylisoquinolin-1-amine?
The canonical SMILES for N-naphthalen-1-ylisoquinolin-1-amine is c1ccc2c(Nc3nccc4ccccc34)cccc2c1.
What is the InChIKey of N-naphthalen-1-ylisoquinolin-1-amine?
The InChIKey is SOSNWUXFTFJKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2/c1-3-9-16-14(6-1)8-5-11-18(16)21-19-17-10-4-2-7-15(17)12-13-20-19/h1-13H,(H,20,21).
What are the key properties of N-naphthalen-1-ylisoquinolin-1-amine?
N-naphthalen-1-ylisoquinolin-1-amine has a molecular weight of 270.34 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-ylisoquinolin-1-amine is sourced from PubChem (CID 3677376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).