(8R)-6-amino-8-(2,5-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile

C19H16N2O5 — CID 7014603

IUPAC(8R)-6-amino-8-(2,5-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
SMILESCOc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c1
InChIInChI=1S/C19H16N2O5/c1-22-10-3-4-14(23-2)11(5-10)18-12-6-16-17(25-9-24-16)7-15(12)26-19(21)13(18)8-20/h3-7,18H,9,21H2,1-2H3/t18-/m1/s1
InChIKeyQHDMMOKFGGHDSG-GOSISDBHSA-N
MW352.35 g/mol
LogP2.65
Rot. Bonds3

About (8R)-6-amino-8-(2,5-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile

(8R)-6-amino-8-(2,5-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile (PubChem CID 7014603) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is (8R)-6-amino-8-(2,5-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile.

Molecular Properties

Compound Name(8R)-6-amino-8-(2,5-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
PubChem CID7014603
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name(8R)-6-amino-8-(2,5-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
SMILESCOc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c1
InChIInChI=1S/C19H16N2O5/c1-22-10-3-4-14(23-2)11(5-10)18-12-6-16-17(25-9-24-16)7-15(12)26-19(21)13(18)8-20/h3-7,18H,9,21H2,1-2H3/t18-/m1/s1
InChIKeyQHDMMOKFGGHDSG-GOSISDBHSA-N
XLogP2.65
TPSA95.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-8-(4-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 2941798
(8S)-6-amino-8-(3,4-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 7014590
2-amino-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-7-methoxy-4H-chromene-3-carbonitrile
CID 102565317
2-amino-6-tert-butyl-4-(2,5-dimethoxyphenyl)-4H-pyran-3,5-dicarbonitrile
CID 5159352
6-amino-8-(3-methoxy-4-phenylmethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 3153295
(4R)-2-amino-4-(2,5-dimethoxyphenyl)-6-phenyl-4H-pyran-3,5-dicarbonitrile
CID 1023306
(8S)-6-amino-8-phenyl-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 51973770
6-amino-8-(5-bromo-2-prop-2-enoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 2942317
(8S)-6-amino-8-(4-chlorophenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 752464
(8S)-6-amino-8-(2,4-dichlorophenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 2194496
methyl 6-amino-5-cyano-4-(2,5-dimethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 3240776
(8R)-6-amino-8-(4-propan-2-ylphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 752469

Frequently Asked Questions

What is the IUPAC name of (8R)-6-amino-8-(2,5-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile?
The IUPAC name of (8R)-6-amino-8-(2,5-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile (CID 7014603) is (8R)-6-amino-8-(2,5-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile.
What is the SMILES notation for (8R)-6-amino-8-(2,5-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile?
The canonical SMILES for (8R)-6-amino-8-(2,5-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile is COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c1.
What is the InChIKey of (8R)-6-amino-8-(2,5-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile?
The InChIKey is QHDMMOKFGGHDSG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-22-10-3-4-14(23-2)11(5-10)18-12-6-16-17(25-9-24-16)7-15(12)26-19(21)13(18)8-20/h3-7,18H,9,21H2,1-2H3/t18-/m1/s1.
What are the key properties of (8R)-6-amino-8-(2,5-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile?
(8R)-6-amino-8-(2,5-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile has a molecular weight of 352.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-6-amino-8-(2,5-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile is sourced from PubChem (CID 7014603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).