7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one

C19H21N3O — CID 122626734

IUPAC7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one
SMILESCN(C)c1ccc(-c2cc3ccc(N(C)C)cc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H21N3O/c1-21(2)15-8-5-13(6-9-15)18-11-14-7-10-16(22(3)4)12-17(14)19(23)20-18/h5-12H,1-4H3,(H,20,23)
InChIKeyWPTBAHVJHOWFLL-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.33
Rot. Bonds3

About 7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one

7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one (PubChem CID 122626734) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one
PubChem CID122626734
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one
SMILESCN(C)c1ccc(-c2cc3ccc(N(C)C)cc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H21N3O/c1-21(2)15-8-5-13(6-9-15)18-11-14-7-10-16(22(3)4)12-17(14)19(23)20-18/h5-12H,1-4H3,(H,20,23)
InChIKeyWPTBAHVJHOWFLL-UHFFFAOYSA-N
XLogP3.33
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-aminophenyl)-7-(dimethylamino)-2H-isoquinolin-1-one
CID 134268735
7-(dimethylamino)-3-[4-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one
CID 143087063
7-(dimethylamino)-3-thiophen-2-yl-2H-isoquinolin-1-one
CID 143087059
7-(dimethylamino)-3-(3-morpholin-4-ylphenyl)-2H-isoquinolin-1-one
CID 143087038
7-[methyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]-3-phenyl-2H-isoquinolin-1-one
CID 58941649
3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione
CID 126694462
N-methyl-1-oxo-3-phenyl-2H-isoquinoline-7-carboxamide
CID 67768528
3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione
CID 126682549
2-[4-(dimethylamino)phenyl]-1H-pyridin-4-one
CID 106513916
6-[4-(dimethylamino)phenyl]-1H-pyridin-2-one
CID 106513930
N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide
CID 23156859
6-(dimethylamino)-2H-isoquinolin-1-one
CID 57424142

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one?
The IUPAC name of 7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one (CID 122626734) is 7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one.
What is the SMILES notation for 7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one?
The canonical SMILES for 7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one is CN(C)c1ccc(-c2cc3ccc(N(C)C)cc3c(=O)[nH]2)cc1.
What is the InChIKey of 7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one?
The InChIKey is WPTBAHVJHOWFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-21(2)15-8-5-13(6-9-15)18-11-14-7-10-16(22(3)4)12-17(14)19(23)20-18/h5-12H,1-4H3,(H,20,23).
What are the key properties of 7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one?
7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one has a molecular weight of 307.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one is sourced from PubChem (CID 122626734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).