2-amino-5,7-dimethoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile

C20H18N2O6 — CID 22395315

IUPAC2-amino-5,7-dimethoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile
SMILESCOc1cc(OC)c2c(c1)OC(N)=C(C#N)C2c1cc(OC)c2c(c1)OCO2
InChIInChI=1S/C20H18N2O6/c1-23-11-6-13(24-2)18-14(7-11)28-20(22)12(8-21)17(18)10-4-15(25-3)19-16(5-10)26-9-27-19/h4-7,17H,9,22H2,1-3H3
InChIKeyOOOYXQTXWCAQLS-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.66
Rot. Bonds4

About 2-amino-5,7-dimethoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile

2-amino-5,7-dimethoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile (PubChem CID 22395315) has the molecular formula C20H18N2O6 and a molecular weight of 382.37 g/mol. Its IUPAC name is 2-amino-5,7-dimethoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5,7-dimethoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile
PubChem CID22395315
Molecular FormulaC20H18N2O6
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name2-amino-5,7-dimethoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile
SMILESCOc1cc(OC)c2c(c1)OC(N)=C(C#N)C2c1cc(OC)c2c(c1)OCO2
InChIInChI=1S/C20H18N2O6/c1-23-11-6-13(24-2)18-14(7-11)28-20(22)12(8-21)17(18)10-4-15(25-3)19-16(5-10)26-9-27-19/h4-7,17H,9,22H2,1-3H3
InChIKeyOOOYXQTXWCAQLS-UHFFFAOYSA-N
XLogP2.66
TPSA105.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-amino-5,7-dimethoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile 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

(+)-Schisandrin B
CID 158103
Schisandrin B
CID 108130
Rubschisandrin
CID 174277
2-Amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromen-3-YL cyanide
CID 9923922
2-amino-7-methoxy-4-(3-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 9879649
6-amino-8-(3-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 56951977
(4R)-2-amino-7-methoxy-4-(3-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 92974409
2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
CID 646737
2-amino-4-(2,4-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
CID 73143827
2-Amino-4-(2,3-dimethoxyphenyl)-7-methoxy-4H-chromen-3-YL cyanide
CID 78738043
2-amino-4-(3,4-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
CID 91972340
2-amino-7-methoxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 102565298

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,7-dimethoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-5,7-dimethoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile (CID 22395315) is 2-amino-5,7-dimethoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-5,7-dimethoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-5,7-dimethoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile is COc1cc(OC)c2c(c1)OC(N)=C(C#N)C2c1cc(OC)c2c(c1)OCO2.
What is the InChIKey of 2-amino-5,7-dimethoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile?
The InChIKey is OOOYXQTXWCAQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6/c1-23-11-6-13(24-2)18-14(7-11)28-20(22)12(8-21)17(18)10-4-15(25-3)19-16(5-10)26-9-27-19/h4-7,17H,9,22H2,1-3H3.
What are the key properties of 2-amino-5,7-dimethoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile?
2-amino-5,7-dimethoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile has a molecular weight of 382.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,7-dimethoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 22395315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).