(4-isoquinolin-1-yl-6-methylmorpholin-2-yl)methanamine

C15H19N3O — CID 102938676

IUPAC(4-isoquinolin-1-yl-6-methylmorpholin-2-yl)methanamine
SMILESCC1CN(c2nccc3ccccc23)CC(CN)O1
InChIInChI=1S/C15H19N3O/c1-11-9-18(10-13(8-16)19-11)15-14-5-3-2-4-12(14)6-7-17-15/h2-7,11,13H,8-10,16H2,1H3
InChIKeyRWFXBVWUZWQRSN-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.79
Rot. Bonds2

About (4-isoquinolin-1-yl-6-methylmorpholin-2-yl)methanamine

(4-isoquinolin-1-yl-6-methylmorpholin-2-yl)methanamine (PubChem CID 102938676) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (4-isoquinolin-1-yl-6-methylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name(4-isoquinolin-1-yl-6-methylmorpholin-2-yl)methanamine
PubChem CID102938676
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(4-isoquinolin-1-yl-6-methylmorpholin-2-yl)methanamine
SMILESCC1CN(c2nccc3ccccc23)CC(CN)O1
InChIInChI=1S/C15H19N3O/c1-11-9-18(10-13(8-16)19-11)15-14-5-3-2-4-12(14)6-7-17-15/h2-7,11,13H,8-10,16H2,1H3
InChIKeyRWFXBVWUZWQRSN-UHFFFAOYSA-N
XLogP1.79
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-isoquinolin-1-yl-6-methylmorpholin-2-yl)methanamine?
The IUPAC name of (4-isoquinolin-1-yl-6-methylmorpholin-2-yl)methanamine (CID 102938676) is (4-isoquinolin-1-yl-6-methylmorpholin-2-yl)methanamine.
What is the SMILES notation for (4-isoquinolin-1-yl-6-methylmorpholin-2-yl)methanamine?
The canonical SMILES for (4-isoquinolin-1-yl-6-methylmorpholin-2-yl)methanamine is CC1CN(c2nccc3ccccc23)CC(CN)O1.
What is the InChIKey of (4-isoquinolin-1-yl-6-methylmorpholin-2-yl)methanamine?
The InChIKey is RWFXBVWUZWQRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-9-18(10-13(8-16)19-11)15-14-5-3-2-4-12(14)6-7-17-15/h2-7,11,13H,8-10,16H2,1H3.
What are the key properties of (4-isoquinolin-1-yl-6-methylmorpholin-2-yl)methanamine?
(4-isoquinolin-1-yl-6-methylmorpholin-2-yl)methanamine has a molecular weight of 257.34 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-isoquinolin-1-yl-6-methylmorpholin-2-yl)methanamine is sourced from PubChem (CID 102938676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).