2-amino-4-(naphthalene-2-carbonyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile

C24H14N2O4 — CID 102126939

About 2-amino-4-(naphthalene-2-carbonyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile

2-amino-4-(naphthalene-2-carbonyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile (PubChem CID 102126939) has the molecular formula C24H14N2O4 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-amino-4-(naphthalene-2-carbonyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-4-(naphthalene-2-carbonyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
• PubChem CID: 102126939
• Molecular Formula: C24H14N2O4
• Molecular Weight: 394.39 g/mol
• Exact Mass: 394.10
• IUPAC Name: 2-amino-4-(naphthalene-2-carbonyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
• SMILES: N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1C(=O)c1ccc2ccccc2c1
• InChI: InChI=1S/C24H14N2O4/c25-12-17-19(21(27)15-10-9-13-5-1-2-6-14(13)11-15)20-22(30-23(17)26)16-7-3-4-8-18(16)29-24(20)28/h1-11,19H,26H2
• InChIKey: MHZCZWNLIXDARI-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 106.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.39
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-amino-4-(naphthalene-2-carbonyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile (CID 102126939) is 2-amino-4-(naphthalene-2-carbonyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile.

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

The canonical SMILES for 2-amino-4-(naphthalene-2-carbonyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile is N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1C(=O)c1ccc2ccccc2c1.

What is the InChIKey of 2-amino-4-(naphthalene-2-carbonyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile?

The InChIKey is MHZCZWNLIXDARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2O4/c25-12-17-19(21(27)15-10-9-13-5-1-2-6-14(13)11-15)20-22(30-23(17)26)16-7-3-4-8-18(16)29-24(20)28/h1-11,19H,26H2.

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

2-amino-4-(naphthalene-2-carbonyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile has a molecular weight of 394.39 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-(naphthalene-2-carbonyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile is sourced from PubChem (CID 102126939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).