4-isoquinolin-8-yloxepan-4-amine

C15H18N2O — CID 103143260

IUPAC4-isoquinolin-8-yloxepan-4-amine
SMILESNC1(c2cccc3ccncc23)CCCOCC1
InChIInChI=1S/C15H18N2O/c16-15(6-2-9-18-10-7-15)14-4-1-3-12-5-8-17-11-13(12)14/h1,3-5,8,11H,2,6-7,9-10,16H2
InChIKeyXQYXQZPDWQESTE-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.59
Rot. Bonds1

About 4-isoquinolin-8-yloxepan-4-amine

4-isoquinolin-8-yloxepan-4-amine (PubChem CID 103143260) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-isoquinolin-8-yloxepan-4-amine.

Molecular Properties

Compound Name4-isoquinolin-8-yloxepan-4-amine
PubChem CID103143260
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-isoquinolin-8-yloxepan-4-amine
SMILESNC1(c2cccc3ccncc23)CCCOCC1
InChIInChI=1S/C15H18N2O/c16-15(6-2-9-18-10-7-15)14-4-1-3-12-5-8-17-11-13(12)14/h1,3-5,8,11H,2,6-7,9-10,16H2
InChIKeyXQYXQZPDWQESTE-UHFFFAOYSA-N
XLogP2.59
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-isoquinolin-8-yloxepan-4-amine?
The IUPAC name of 4-isoquinolin-8-yloxepan-4-amine (CID 103143260) is 4-isoquinolin-8-yloxepan-4-amine.
What is the SMILES notation for 4-isoquinolin-8-yloxepan-4-amine?
The canonical SMILES for 4-isoquinolin-8-yloxepan-4-amine is NC1(c2cccc3ccncc23)CCCOCC1.
What is the InChIKey of 4-isoquinolin-8-yloxepan-4-amine?
The InChIKey is XQYXQZPDWQESTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-15(6-2-9-18-10-7-15)14-4-1-3-12-5-8-17-11-13(12)14/h1,3-5,8,11H,2,6-7,9-10,16H2.
What are the key properties of 4-isoquinolin-8-yloxepan-4-amine?
4-isoquinolin-8-yloxepan-4-amine has a molecular weight of 242.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isoquinolin-8-yloxepan-4-amine is sourced from PubChem (CID 103143260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).