2-amino-9-hydroxy-4-(4-methoxy-3-phenylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile

C26H18N2O5 — CID 142491673

About 2-amino-9-hydroxy-4-(4-methoxy-3-phenylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile

2-amino-9-hydroxy-4-(4-methoxy-3-phenylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile (PubChem CID 142491673) has the molecular formula C26H18N2O5 and a molecular weight of 438.44 g/mol. Its IUPAC name is 2-amino-9-hydroxy-4-(4-methoxy-3-phenylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-9-hydroxy-4-(4-methoxy-3-phenylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
• PubChem CID: 142491673
• Molecular Formula: C26H18N2O5
• Molecular Weight: 438.44 g/mol
• Exact Mass: 438.12
• IUPAC Name: 2-amino-9-hydroxy-4-(4-methoxy-3-phenylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
• SMILES: COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccc(O)cc32)cc1-c1ccccc1
• InChI: InChI=1S/C26H18N2O5/c1-31-20-9-7-15(11-17(20)14-5-3-2-4-6-14)22-19(13-27)25(28)33-24-18-12-16(29)8-10-21(18)32-26(30)23(22)24/h2-12,22,29H,28H2,1H3
• InChIKey: WRJCBIOGZIWWJM-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 118.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.44
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-hydroxy-4-(4-methoxy-3-phenylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile?

The IUPAC name of 2-amino-9-hydroxy-4-(4-methoxy-3-phenylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile (CID 142491673) is 2-amino-9-hydroxy-4-(4-methoxy-3-phenylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile.

What is the SMILES notation for 2-amino-9-hydroxy-4-(4-methoxy-3-phenylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile?

The canonical SMILES for 2-amino-9-hydroxy-4-(4-methoxy-3-phenylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile is COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccc(O)cc32)cc1-c1ccccc1.

What is the InChIKey of 2-amino-9-hydroxy-4-(4-methoxy-3-phenylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile?

The InChIKey is WRJCBIOGZIWWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O5/c1-31-20-9-7-15(11-17(20)14-5-3-2-4-6-14)22-19(13-27)25(28)33-24-18-12-16(29)8-10-21(18)32-26(30)23(22)24/h2-12,22,29H,28H2,1H3.

What are the key properties of 2-amino-9-hydroxy-4-(4-methoxy-3-phenylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile?

2-amino-9-hydroxy-4-(4-methoxy-3-phenylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile has a molecular weight of 438.44 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-hydroxy-4-(4-methoxy-3-phenylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile is sourced from PubChem (CID 142491673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).