2-amino-4-(5-methylfuran-2-yl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile

C19H12N2O4 — CID 25249037

IUPAC2-amino-4-(5-methylfuran-2-yl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)o1
InChIInChI=1S/C19H12N2O4/c1-9-6-7-13(24-9)14-12(8-20)19(21)25-18-15(14)16(22)10-4-2-3-5-11(10)17(18)23/h2-7,14H,21H2,1H3
InChIKeyYUEVGTPTFOLUBQ-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.73
Rot. Bonds1

About 2-amino-4-(5-methylfuran-2-yl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile

2-amino-4-(5-methylfuran-2-yl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile (PubChem CID 25249037) has the molecular formula C19H12N2O4 and a molecular weight of 332.32 g/mol. Its IUPAC name is 2-amino-4-(5-methylfuran-2-yl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-methylfuran-2-yl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
PubChem CID25249037
Molecular FormulaC19H12N2O4
Molecular Weight332.32 g/mol
Exact Mass332.08
IUPAC Name2-amino-4-(5-methylfuran-2-yl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)o1
InChIInChI=1S/C19H12N2O4/c1-9-6-7-13(24-9)14-12(8-20)19(21)25-18-15(14)16(22)10-4-2-3-5-11(10)17(18)23/h2-7,14H,21H2,1H3
InChIKeyYUEVGTPTFOLUBQ-UHFFFAOYSA-N
XLogP2.73
TPSA106.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-methylfuran-2-yl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-methylfuran-2-yl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile (CID 25249037) is 2-amino-4-(5-methylfuran-2-yl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-methylfuran-2-yl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-methylfuran-2-yl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile is Cc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)o1.
What is the InChIKey of 2-amino-4-(5-methylfuran-2-yl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile?
The InChIKey is YUEVGTPTFOLUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O4/c1-9-6-7-13(24-9)14-12(8-20)19(21)25-18-15(14)16(22)10-4-2-3-5-11(10)17(18)23/h2-7,14H,21H2,1H3.
What are the key properties of 2-amino-4-(5-methylfuran-2-yl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile?
2-amino-4-(5-methylfuran-2-yl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile has a molecular weight of 332.32 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-methylfuran-2-yl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile is sourced from PubChem (CID 25249037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).