2-amino-4-(2,3-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile

C19H18N2O4 — CID 78738043

IUPAC2-amino-4-(2,3-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
SMILESCOc1ccc2c(c1)OC(N)=C(C#N)C2c1cccc(OC)c1OC
InChIInChI=1S/C19H18N2O4/c1-22-11-7-8-12-16(9-11)25-19(21)14(10-20)17(12)13-5-4-6-15(23-2)18(13)24-3/h4-9,17H,21H2,1-3H3
InChIKeyVEQHPCJGMYFFJM-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.93
Rot. Bonds4

About 2-amino-4-(2,3-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile

2-amino-4-(2,3-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile (PubChem CID 78738043) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-amino-4-(2,3-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,3-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
PubChem CID78738043
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-amino-4-(2,3-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
SMILESCOc1ccc2c(c1)OC(N)=C(C#N)C2c1cccc(OC)c1OC
InChIInChI=1S/C19H18N2O4/c1-22-11-7-8-12-16(9-11)25-19(21)14(10-20)17(12)13-5-4-6-15(23-2)18(13)24-3/h4-9,17H,21H2,1-3H3
InChIKeyVEQHPCJGMYFFJM-UHFFFAOYSA-N
XLogP2.93
TPSA86.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,3-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile (CID 78738043) is 2-amino-4-(2,3-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,3-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,3-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile is COc1ccc2c(c1)OC(N)=C(C#N)C2c1cccc(OC)c1OC.
What is the InChIKey of 2-amino-4-(2,3-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile?
The InChIKey is VEQHPCJGMYFFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-22-11-7-8-12-16(9-11)25-19(21)14(10-20)17(12)13-5-4-6-15(23-2)18(13)24-3/h4-9,17H,21H2,1-3H3.
What are the key properties of 2-amino-4-(2,3-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile?
2-amino-4-(2,3-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile has a molecular weight of 338.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile is sourced from PubChem (CID 78738043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).