7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone

C19H20N2O3 — CID 110661408

IUPAC7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCc3cc4c(cc3C2)OCO4)cc1
InChIInChI=1S/C19H20N2O3/c1-20(2)16-5-3-13(4-6-16)19(22)21-8-7-14-9-17-18(24-12-23-17)10-15(14)11-21/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyIFKKNERTWNHTAR-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.68
Rot. Bonds2

About 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone

7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone (PubChem CID 110661408) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone
PubChem CID110661408
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCc3cc4c(cc3C2)OCO4)cc1
InChIInChI=1S/C19H20N2O3/c1-20(2)16-5-3-13(4-6-16)19(22)21-8-7-14-9-17-18(24-12-23-17)10-15(14)11-21/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyIFKKNERTWNHTAR-UHFFFAOYSA-N
XLogP2.68
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone with MolForge

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Related Compounds

(1-benzoylpiperidin-4-yl)-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone
CID 110616130
3-[2-[4-(dimethylamino)benzoyl]-3,4-dihydro-1H-isoquinolin-6-yl]-N-hydroxyprop-2-enamide
CID 74374405
1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-3,3-dimethylbutan-1-one
CID 110409632
1,3-benzodioxol-5-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162634923
(3-chlorophenyl)-(3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-7-yl)methanone
CID 110647111
methyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535220
N-(2-methoxyethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
CID 110616139
1,3-benzodioxol-5-yl-[4-(dimethylamino)phenyl]methanone
CID 146006397
4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one
CID 110741167
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(dimethylamino)benzoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 138454790
N-cyclopropyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
CID 110616138
(E)-1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-methyl-3-phenylprop-2-en-1-one
CID 110616132

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone?
The IUPAC name of 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone (CID 110661408) is 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone.
What is the SMILES notation for 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone?
The canonical SMILES for 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone is CN(C)c1ccc(C(=O)N2CCc3cc4c(cc3C2)OCO4)cc1.
What is the InChIKey of 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone?
The InChIKey is IFKKNERTWNHTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-20(2)16-5-3-13(4-6-16)19(22)21-8-7-14-9-17-18(24-12-23-17)10-15(14)11-21/h3-6,9-10H,7-8,11-12H2,1-2H3.
What are the key properties of 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone?
7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone has a molecular weight of 324.38 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 110661408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).