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

C28H24N2O5 — CID 160528459

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

2-amino-9-hydroxy-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;methane (PubChem CID 160528459) has the molecular formula C28H24N2O5 and a molecular weight of 468.51 g/mol. Its IUPAC name is 2-amino-9-hydroxy-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;methane.

Molecular Properties

• Compound Name: 2-amino-9-hydroxy-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;methane
• PubChem CID: 160528459
• Molecular Formula: C28H24N2O5
• Molecular Weight: 468.51 g/mol
• Exact Mass: 468.17
• IUPAC Name: 2-amino-9-hydroxy-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;methane
• SMILES: C.COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccc(O)cc32)cc1-c1ccccc1C
• InChI: InChI=1S/C27H20N2O5.CH4/c1-14-5-3-4-6-17(14)18-11-15(7-9-21(18)32-2)23-20(13-28)26(29)34-25-19-12-16(30)8-10-22(19)33-27(31)24(23)25;/h3-12,23,30H,29H2,1-2H3;1H4
• InChIKey: QVFGMHXCOFHMLP-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 118.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.51
LogP ≤ 5	5.34
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-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;methane?

The IUPAC name of 2-amino-9-hydroxy-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;methane (CID 160528459) is 2-amino-9-hydroxy-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;methane.

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

The canonical SMILES for 2-amino-9-hydroxy-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;methane is C.COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccc(O)cc32)cc1-c1ccccc1C.

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

The InChIKey is QVFGMHXCOFHMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O5.CH4/c1-14-5-3-4-6-17(14)18-11-15(7-9-21(18)32-2)23-20(13-28)26(29)34-25-19-12-16(30)8-10-22(19)33-27(31)24(23)25;/h3-12,23,30H,29H2,1-2H3;1H4.

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

2-amino-9-hydroxy-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;methane has a molecular weight of 468.51 g/mol, XLogP of 5.34, 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-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;methane is sourced from PubChem (CID 160528459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).