8-anilino-6-(furan-2-yl)-3,4-dihydro-2H-phenanthridine-1,7,10-trione

C23H16N2O4 — CID 53376052

IUPAC8-anilino-6-(furan-2-yl)-3,4-dihydro-2H-phenanthridine-1,7,10-trione
SMILESO=C1CCCc2nc(-c3ccco3)c3c(c21)C(=O)C=C(Nc1ccccc1)C3=O
InChIInChI=1S/C23H16N2O4/c26-16-9-4-8-14-19(16)20-17(27)12-15(24-13-6-2-1-3-7-13)23(28)21(20)22(25-14)18-10-5-11-29-18/h1-3,5-7,10-12,24H,4,8-9H2
InChIKeyBPIRRXOHLCPNQV-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.24
Rot. Bonds3

About 8-anilino-6-(furan-2-yl)-3,4-dihydro-2H-phenanthridine-1,7,10-trione

8-anilino-6-(furan-2-yl)-3,4-dihydro-2H-phenanthridine-1,7,10-trione (PubChem CID 53376052) has the molecular formula C23H16N2O4 and a molecular weight of 384.39 g/mol. Its IUPAC name is 8-anilino-6-(furan-2-yl)-3,4-dihydro-2H-phenanthridine-1,7,10-trione.

Molecular Properties

Compound Name8-anilino-6-(furan-2-yl)-3,4-dihydro-2H-phenanthridine-1,7,10-trione
PubChem CID53376052
Molecular FormulaC23H16N2O4
Molecular Weight384.39 g/mol
Exact Mass384.11
IUPAC Name8-anilino-6-(furan-2-yl)-3,4-dihydro-2H-phenanthridine-1,7,10-trione
SMILESO=C1CCCc2nc(-c3ccco3)c3c(c21)C(=O)C=C(Nc1ccccc1)C3=O
InChIInChI=1S/C23H16N2O4/c26-16-9-4-8-14-19(16)20-17(27)12-15(24-13-6-2-1-3-7-13)23(28)21(20)22(25-14)18-10-5-11-29-18/h1-3,5-7,10-12,24H,4,8-9H2
InChIKeyBPIRRXOHLCPNQV-UHFFFAOYSA-N
XLogP4.24
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.24
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 8-anilino-6-(furan-2-yl)-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The IUPAC name of 8-anilino-6-(furan-2-yl)-3,4-dihydro-2H-phenanthridine-1,7,10-trione (CID 53376052) is 8-anilino-6-(furan-2-yl)-3,4-dihydro-2H-phenanthridine-1,7,10-trione.
What is the SMILES notation for 8-anilino-6-(furan-2-yl)-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The canonical SMILES for 8-anilino-6-(furan-2-yl)-3,4-dihydro-2H-phenanthridine-1,7,10-trione is O=C1CCCc2nc(-c3ccco3)c3c(c21)C(=O)C=C(Nc1ccccc1)C3=O.
What is the InChIKey of 8-anilino-6-(furan-2-yl)-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The InChIKey is BPIRRXOHLCPNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O4/c26-16-9-4-8-14-19(16)20-17(27)12-15(24-13-6-2-1-3-7-13)23(28)21(20)22(25-14)18-10-5-11-29-18/h1-3,5-7,10-12,24H,4,8-9H2.
What are the key properties of 8-anilino-6-(furan-2-yl)-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
8-anilino-6-(furan-2-yl)-3,4-dihydro-2H-phenanthridine-1,7,10-trione has a molecular weight of 384.39 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilino-6-(furan-2-yl)-3,4-dihydro-2H-phenanthridine-1,7,10-trione is sourced from PubChem (CID 53376052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).