2-isoquinolin-8-yl-1,3-dihydroinden-2-amine

C18H16N2 — CID 103143198

IUPAC2-isoquinolin-8-yl-1,3-dihydroinden-2-amine
SMILESNC1(c2cccc3ccncc23)Cc2ccccc2C1
InChIInChI=1S/C18H16N2/c19-18(10-14-4-1-2-5-15(14)11-18)17-7-3-6-13-8-9-20-12-16(13)17/h1-9,12H,10-11,19H2
InChIKeyNQKOUZRXCKHOFM-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.19
Rot. Bonds1

About 2-isoquinolin-8-yl-1,3-dihydroinden-2-amine

2-isoquinolin-8-yl-1,3-dihydroinden-2-amine (PubChem CID 103143198) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-isoquinolin-8-yl-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-isoquinolin-8-yl-1,3-dihydroinden-2-amine
PubChem CID103143198
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name2-isoquinolin-8-yl-1,3-dihydroinden-2-amine
SMILESNC1(c2cccc3ccncc23)Cc2ccccc2C1
InChIInChI=1S/C18H16N2/c19-18(10-14-4-1-2-5-15(14)11-18)17-7-3-6-13-8-9-20-12-16(13)17/h1-9,12H,10-11,19H2
InChIKeyNQKOUZRXCKHOFM-UHFFFAOYSA-N
XLogP3.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-8-yl-1,3-dihydroinden-2-amine?
The IUPAC name of 2-isoquinolin-8-yl-1,3-dihydroinden-2-amine (CID 103143198) is 2-isoquinolin-8-yl-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-isoquinolin-8-yl-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-isoquinolin-8-yl-1,3-dihydroinden-2-amine is NC1(c2cccc3ccncc23)Cc2ccccc2C1.
What is the InChIKey of 2-isoquinolin-8-yl-1,3-dihydroinden-2-amine?
The InChIKey is NQKOUZRXCKHOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c19-18(10-14-4-1-2-5-15(14)11-18)17-7-3-6-13-8-9-20-12-16(13)17/h1-9,12H,10-11,19H2.
What are the key properties of 2-isoquinolin-8-yl-1,3-dihydroinden-2-amine?
2-isoquinolin-8-yl-1,3-dihydroinden-2-amine has a molecular weight of 260.34 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-8-yl-1,3-dihydroinden-2-amine is sourced from PubChem (CID 103143198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).