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

C19H18N2O3 — CID 78738037

IUPAC2-amino-4-(2-ethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
SMILESCCOc1ccccc1C1C(C#N)=C(N)Oc2cc(OC)ccc21
InChIInChI=1S/C19H18N2O3/c1-3-23-16-7-5-4-6-13(16)18-14-9-8-12(22-2)10-17(14)24-19(21)15(18)11-20/h4-10,18H,3,21H2,1-2H3
InChIKeyYCQVXGTZFUBBHV-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.31
Rot. Bonds4

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

2-amino-4-(2-ethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile (PubChem CID 78738037) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-amino-4-(2-ethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-ethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
PubChem CID78738037
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-amino-4-(2-ethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
SMILESCCOc1ccccc1C1C(C#N)=C(N)Oc2cc(OC)ccc21
InChIInChI=1S/C19H18N2O3/c1-3-23-16-7-5-4-6-13(16)18-14-9-8-12(22-2)10-17(14)24-19(21)15(18)11-20/h4-10,18H,3,21H2,1-2H3
InChIKeyYCQVXGTZFUBBHV-UHFFFAOYSA-N
XLogP3.31
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-ethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-ethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile (CID 78738037) is 2-amino-4-(2-ethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-ethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-ethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile is CCOc1ccccc1C1C(C#N)=C(N)Oc2cc(OC)ccc21.
What is the InChIKey of 2-amino-4-(2-ethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile?
The InChIKey is YCQVXGTZFUBBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-23-16-7-5-4-6-13(16)18-14-9-8-12(22-2)10-17(14)24-19(21)15(18)11-20/h4-10,18H,3,21H2,1-2H3.
What are the key properties of 2-amino-4-(2-ethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile?
2-amino-4-(2-ethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile has a molecular weight of 322.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-ethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile is sourced from PubChem (CID 78738037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).