11-(4-methoxyphenyl)-9,10-dihydro-8H-[1,3]benzodioxolo[7,6-g]isoquinolin-7-one

C21H17NO4 — CID 19353326

IUPAC11-(4-methoxyphenyl)-9,10-dihydro-8H-[1,3]benzodioxolo[7,6-g]isoquinolin-7-one
SMILESCOc1ccc(-c2c3c(cc4ccc5c(c24)OCO5)C(=O)NCC3)cc1
InChIInChI=1S/C21H17NO4/c1-24-14-5-2-12(3-6-14)18-15-8-9-22-21(23)16(15)10-13-4-7-17-20(19(13)18)26-11-25-17/h2-7,10H,8-9,11H2,1H3,(H,22,23)
InChIKeyZHCYGMWYHQZKIK-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.53
Rot. Bonds2

About 11-(4-methoxyphenyl)-9,10-dihydro-8H-[1,3]benzodioxolo[7,6-g]isoquinolin-7-one

11-(4-methoxyphenyl)-9,10-dihydro-8H-[1,3]benzodioxolo[7,6-g]isoquinolin-7-one (PubChem CID 19353326) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is 11-(4-methoxyphenyl)-9,10-dihydro-8H-[1,3]benzodioxolo[7,6-g]isoquinolin-7-one.

Molecular Properties

Compound Name11-(4-methoxyphenyl)-9,10-dihydro-8H-[1,3]benzodioxolo[7,6-g]isoquinolin-7-one
PubChem CID19353326
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name11-(4-methoxyphenyl)-9,10-dihydro-8H-[1,3]benzodioxolo[7,6-g]isoquinolin-7-one
SMILESCOc1ccc(-c2c3c(cc4ccc5c(c24)OCO5)C(=O)NCC3)cc1
InChIInChI=1S/C21H17NO4/c1-24-14-5-2-12(3-6-14)18-15-8-9-22-21(23)16(15)10-13-4-7-17-20(19(13)18)26-11-25-17/h2-7,10H,8-9,11H2,1H3,(H,22,23)
InChIKeyZHCYGMWYHQZKIK-UHFFFAOYSA-N
XLogP3.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-(4-methoxyphenyl)-9,10-dihydro-8H-[1,3]benzodioxolo[7,6-g]isoquinolin-7-one with MolForge

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Related Compounds

N-(1,3-Benzodioxol-5-Ylmethyl)-1-[(1r)-1-Naphthalen-1-Ylethyl]piperidine-4-Carboxamide
CID 46174170
Vitedoamine B
CID 44478947
N-[2-[4-(1,3-benzodioxol-5-yl)phenyl]ethyl]-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 58443234
2-[(E)-3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)prop-2-enoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 60198521
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
Sicdvfqigzixso-uhfffaoysa-
CID 10759138
Vitedoamine A
CID 11348702
N-(2H-1,3-benzodioxol-5-ylmethyl)-1-[(1S)-1-(naphthalen-1-yl)ethyl]piperidine-4-carboxamide (I-4)
CID 46178558
2-[3-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-3-oxo-propyl]-benzo[de]isoquinoline-1,3-dione
CID 2906407
2-(3,4-dimethoxyphenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 2906466
2-[2-(3,4-Dimethoxy-phenyl)-ethyl]-6-(piperidine-1-carbonyl)-benzo[de]isoquinoline-1,3-dione
CID 3653164
7H-1,3-Benzodioxolo[4,5-f]isoindole-7,9(8H)-dione, 10-(3,4-dimethoxyphenyl)-
CID 5273785

Frequently Asked Questions

What is the IUPAC name of 11-(4-methoxyphenyl)-9,10-dihydro-8H-[1,3]benzodioxolo[7,6-g]isoquinolin-7-one?
The IUPAC name of 11-(4-methoxyphenyl)-9,10-dihydro-8H-[1,3]benzodioxolo[7,6-g]isoquinolin-7-one (CID 19353326) is 11-(4-methoxyphenyl)-9,10-dihydro-8H-[1,3]benzodioxolo[7,6-g]isoquinolin-7-one.
What is the SMILES notation for 11-(4-methoxyphenyl)-9,10-dihydro-8H-[1,3]benzodioxolo[7,6-g]isoquinolin-7-one?
The canonical SMILES for 11-(4-methoxyphenyl)-9,10-dihydro-8H-[1,3]benzodioxolo[7,6-g]isoquinolin-7-one is COc1ccc(-c2c3c(cc4ccc5c(c24)OCO5)C(=O)NCC3)cc1.
What is the InChIKey of 11-(4-methoxyphenyl)-9,10-dihydro-8H-[1,3]benzodioxolo[7,6-g]isoquinolin-7-one?
The InChIKey is ZHCYGMWYHQZKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c1-24-14-5-2-12(3-6-14)18-15-8-9-22-21(23)16(15)10-13-4-7-17-20(19(13)18)26-11-25-17/h2-7,10H,8-9,11H2,1H3,(H,22,23).
What are the key properties of 11-(4-methoxyphenyl)-9,10-dihydro-8H-[1,3]benzodioxolo[7,6-g]isoquinolin-7-one?
11-(4-methoxyphenyl)-9,10-dihydro-8H-[1,3]benzodioxolo[7,6-g]isoquinolin-7-one has a molecular weight of 347.37 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-methoxyphenyl)-9,10-dihydro-8H-[1,3]benzodioxolo[7,6-g]isoquinolin-7-one is sourced from PubChem (CID 19353326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).