7-(dimethylamino)-3-(3-morpholin-4-ylphenyl)-2H-isoquinolin-1-one

C21H23N3O2 — CID 143087038

IUPAC7-(dimethylamino)-3-(3-morpholin-4-ylphenyl)-2H-isoquinolin-1-one
SMILESCN(C)c1ccc2cc(-c3cccc(N4CCOCC4)c3)[nH]c(=O)c2c1
InChIInChI=1S/C21H23N3O2/c1-23(2)17-7-6-15-13-20(22-21(25)19(15)14-17)16-4-3-5-18(12-16)24-8-10-26-11-9-24/h3-7,12-14H,8-11H2,1-2H3,(H,22,25)
InChIKeyFVTZNJIKRZQWAH-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.10
Rot. Bonds3

About 7-(dimethylamino)-3-(3-morpholin-4-ylphenyl)-2H-isoquinolin-1-one

7-(dimethylamino)-3-(3-morpholin-4-ylphenyl)-2H-isoquinolin-1-one (PubChem CID 143087038) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 7-(dimethylamino)-3-(3-morpholin-4-ylphenyl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-(dimethylamino)-3-(3-morpholin-4-ylphenyl)-2H-isoquinolin-1-one
PubChem CID143087038
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name7-(dimethylamino)-3-(3-morpholin-4-ylphenyl)-2H-isoquinolin-1-one
SMILESCN(C)c1ccc2cc(-c3cccc(N4CCOCC4)c3)[nH]c(=O)c2c1
InChIInChI=1S/C21H23N3O2/c1-23(2)17-7-6-15-13-20(22-21(25)19(15)14-17)16-4-3-5-18(12-16)24-8-10-26-11-9-24/h3-7,12-14H,8-11H2,1-2H3,(H,22,25)
InChIKeyFVTZNJIKRZQWAH-UHFFFAOYSA-N
XLogP3.10
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-3-(3-morpholin-4-ylphenyl)-2H-isoquinolin-1-one?
The IUPAC name of 7-(dimethylamino)-3-(3-morpholin-4-ylphenyl)-2H-isoquinolin-1-one (CID 143087038) is 7-(dimethylamino)-3-(3-morpholin-4-ylphenyl)-2H-isoquinolin-1-one.
What is the SMILES notation for 7-(dimethylamino)-3-(3-morpholin-4-ylphenyl)-2H-isoquinolin-1-one?
The canonical SMILES for 7-(dimethylamino)-3-(3-morpholin-4-ylphenyl)-2H-isoquinolin-1-one is CN(C)c1ccc2cc(-c3cccc(N4CCOCC4)c3)[nH]c(=O)c2c1.
What is the InChIKey of 7-(dimethylamino)-3-(3-morpholin-4-ylphenyl)-2H-isoquinolin-1-one?
The InChIKey is FVTZNJIKRZQWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-23(2)17-7-6-15-13-20(22-21(25)19(15)14-17)16-4-3-5-18(12-16)24-8-10-26-11-9-24/h3-7,12-14H,8-11H2,1-2H3,(H,22,25).
What are the key properties of 7-(dimethylamino)-3-(3-morpholin-4-ylphenyl)-2H-isoquinolin-1-one?
7-(dimethylamino)-3-(3-morpholin-4-ylphenyl)-2H-isoquinolin-1-one has a molecular weight of 349.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-3-(3-morpholin-4-ylphenyl)-2H-isoquinolin-1-one is sourced from PubChem (CID 143087038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).