8-(2,5-dimethylmorpholin-4-yl)isoquinolin-5-amine

C15H19N3O — CID 103137270

IUPAC8-(2,5-dimethylmorpholin-4-yl)isoquinolin-5-amine
SMILESCC1CN(c2ccc(N)c3ccncc23)C(C)CO1
InChIInChI=1S/C15H19N3O/c1-10-9-19-11(2)8-18(10)15-4-3-14(16)12-5-6-17-7-13(12)15/h3-7,10-11H,8-9,16H2,1-2H3
InChIKeySQGMZERPKLMKMD-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.43
Rot. Bonds1

About 8-(2,5-dimethylmorpholin-4-yl)isoquinolin-5-amine

8-(2,5-dimethylmorpholin-4-yl)isoquinolin-5-amine (PubChem CID 103137270) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 8-(2,5-dimethylmorpholin-4-yl)isoquinolin-5-amine.

Molecular Properties

Compound Name8-(2,5-dimethylmorpholin-4-yl)isoquinolin-5-amine
PubChem CID103137270
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name8-(2,5-dimethylmorpholin-4-yl)isoquinolin-5-amine
SMILESCC1CN(c2ccc(N)c3ccncc23)C(C)CO1
InChIInChI=1S/C15H19N3O/c1-10-9-19-11(2)8-18(10)15-4-3-14(16)12-5-6-17-7-13(12)15/h3-7,10-11H,8-9,16H2,1-2H3
InChIKeySQGMZERPKLMKMD-UHFFFAOYSA-N
XLogP2.43
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dimethylmorpholin-4-yl)pyridine-4-carbothioamide
CID 113269552
4-(2,5-dimethylmorpholin-4-yl)quinolin-8-amine
CID 83060956
4-(2,5-dimethylmorpholin-4-yl)-1H-pyrazol-5-amine
CID 82234573
8-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]isoquinolin-5-amine
CID 103138826
8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine
CID 103139285
2-(2,5-dimethylmorpholin-4-yl)-5-nitroaniline
CID 62506629
2-(2,5-dimethylmorpholin-4-yl)-6-methylpyridin-3-amine
CID 81131827
N-[[4-(2,5-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81246776
(4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 81242861
3-amino-4-(2,5-dimethylmorpholin-4-yl)benzenesulfonamide
CID 43544454
5-(5-ethyl-2-methylmorpholin-4-yl)-3-methylisoquinolin-8-amine
CID 102713093
4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile
CID 103138674

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethylmorpholin-4-yl)isoquinolin-5-amine?
The IUPAC name of 8-(2,5-dimethylmorpholin-4-yl)isoquinolin-5-amine (CID 103137270) is 8-(2,5-dimethylmorpholin-4-yl)isoquinolin-5-amine.
What is the SMILES notation for 8-(2,5-dimethylmorpholin-4-yl)isoquinolin-5-amine?
The canonical SMILES for 8-(2,5-dimethylmorpholin-4-yl)isoquinolin-5-amine is CC1CN(c2ccc(N)c3ccncc23)C(C)CO1.
What is the InChIKey of 8-(2,5-dimethylmorpholin-4-yl)isoquinolin-5-amine?
The InChIKey is SQGMZERPKLMKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-9-19-11(2)8-18(10)15-4-3-14(16)12-5-6-17-7-13(12)15/h3-7,10-11H,8-9,16H2,1-2H3.
What are the key properties of 8-(2,5-dimethylmorpholin-4-yl)isoquinolin-5-amine?
8-(2,5-dimethylmorpholin-4-yl)isoquinolin-5-amine has a molecular weight of 257.34 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethylmorpholin-4-yl)isoquinolin-5-amine is sourced from PubChem (CID 103137270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).