8,9-bis(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]isoquinolin-6-amine

C24H20N2O4 — CID 177471706

IUPAC8,9-bis(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]isoquinolin-6-amine
SMILESCOc1ccc(-c2nc(N)c3ccc4c(c3c2-c2ccc(OC)cc2)OCO4)cc1
InChIInChI=1S/C24H20N2O4/c1-27-16-7-3-14(4-8-16)20-21-18(11-12-19-23(21)30-13-29-19)24(25)26-22(20)15-5-9-17(28-2)10-6-15/h3-12H,13H2,1-2H3,(H2,25,26)
InChIKeyMYXHMMOSOIFZPC-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.90
Rot. Bonds4

About 8,9-bis(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]isoquinolin-6-amine

8,9-bis(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]isoquinolin-6-amine (PubChem CID 177471706) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 8,9-bis(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]isoquinolin-6-amine.

Molecular Properties

Compound Name8,9-bis(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]isoquinolin-6-amine
PubChem CID177471706
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name8,9-bis(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]isoquinolin-6-amine
SMILESCOc1ccc(-c2nc(N)c3ccc4c(c3c2-c2ccc(OC)cc2)OCO4)cc1
InChIInChI=1S/C24H20N2O4/c1-27-16-7-3-14(4-8-16)20-21-18(11-12-19-23(21)30-13-29-19)24(25)26-22(20)15-5-9-17(28-2)10-6-15/h3-12H,13H2,1-2H3,(H2,25,26)
InChIKeyMYXHMMOSOIFZPC-UHFFFAOYSA-N
XLogP4.90
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8,9-bis(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]isoquinolin-6-amine with MolForge

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Related Compounds

5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine
CID 177413638
3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine
CID 177422470
6,20-dimethoxy-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
CID 162453579
11-(4-methoxyphenyl)-9,10-dihydro-8H-[1,3]benzodioxolo[7,6-g]isoquinolin-7-one
CID 19353326
6-(6-methoxynaphthalen-2-yl)-1,3-benzodioxol-5-amine
CID 22716426
4,5-bis(4-methoxyphenyl)-7-propyl-1,3-benzodioxole
CID 57106396
9-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]quinoline-7-carboxamide
CID 57044861
7-methoxy-3-(4-methoxyphenyl)-4-nitroisoquinolin-1-amine
CID 67404437
6-(7-methoxynaphthalen-2-yl)-1,3-benzodioxol-5-amine
CID 22716442
dimethyl 9-(1,3-benzodioxol-5-yl)-6-hydroxybenzo[g][1,3]benzodioxole-7,8-dicarboxylate
CID 19353278
(4-methoxy-1,3-benzodioxol-5-yl)methanamine
CID 21294011
[4-[2-hydrazinyl-5,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-5,6-bis(4-methoxyphenyl)pyrimidin-2-yl]hydrazine
CID 4062729

Frequently Asked Questions

What is the IUPAC name of 8,9-bis(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]isoquinolin-6-amine?
The IUPAC name of 8,9-bis(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]isoquinolin-6-amine (CID 177471706) is 8,9-bis(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]isoquinolin-6-amine.
What is the SMILES notation for 8,9-bis(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]isoquinolin-6-amine?
The canonical SMILES for 8,9-bis(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]isoquinolin-6-amine is COc1ccc(-c2nc(N)c3ccc4c(c3c2-c2ccc(OC)cc2)OCO4)cc1.
What is the InChIKey of 8,9-bis(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]isoquinolin-6-amine?
The InChIKey is MYXHMMOSOIFZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-27-16-7-3-14(4-8-16)20-21-18(11-12-19-23(21)30-13-29-19)24(25)26-22(20)15-5-9-17(28-2)10-6-15/h3-12H,13H2,1-2H3,(H2,25,26).
What are the key properties of 8,9-bis(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]isoquinolin-6-amine?
8,9-bis(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]isoquinolin-6-amine has a molecular weight of 400.43 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-bis(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]isoquinolin-6-amine is sourced from PubChem (CID 177471706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).