8-(4-fluoroanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione

C20H15FN2O3 — CID 53376050

IUPAC8-(4-fluoroanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
SMILESCc1nc2c(c3c1C(=O)C(Nc1ccc(F)cc1)=CC3=O)C(=O)CCC2
InChIInChI=1S/C20H15FN2O3/c1-10-17-19(18-13(22-10)3-2-4-15(18)24)16(25)9-14(20(17)26)23-12-7-5-11(21)6-8-12/h5-9,23H,2-4H2,1H3
InChIKeyCNIZQTGSWQJIAF-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.42
Rot. Bonds2

About 8-(4-fluoroanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione

8-(4-fluoroanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione (PubChem CID 53376050) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is 8-(4-fluoroanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione.

Molecular Properties

Compound Name8-(4-fluoroanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
PubChem CID53376050
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name8-(4-fluoroanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
SMILESCc1nc2c(c3c1C(=O)C(Nc1ccc(F)cc1)=CC3=O)C(=O)CCC2
InChIInChI=1S/C20H15FN2O3/c1-10-17-19(18-13(22-10)3-2-4-15(18)24)16(25)9-14(20(17)26)23-12-7-5-11(21)6-8-12/h5-9,23H,2-4H2,1H3
InChIKeyCNIZQTGSWQJIAF-UHFFFAOYSA-N
XLogP3.42
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-fluoroanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The IUPAC name of 8-(4-fluoroanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione (CID 53376050) is 8-(4-fluoroanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione.
What is the SMILES notation for 8-(4-fluoroanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The canonical SMILES for 8-(4-fluoroanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione is Cc1nc2c(c3c1C(=O)C(Nc1ccc(F)cc1)=CC3=O)C(=O)CCC2.
What is the InChIKey of 8-(4-fluoroanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The InChIKey is CNIZQTGSWQJIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3/c1-10-17-19(18-13(22-10)3-2-4-15(18)24)16(25)9-14(20(17)26)23-12-7-5-11(21)6-8-12/h5-9,23H,2-4H2,1H3.
What are the key properties of 8-(4-fluoroanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
8-(4-fluoroanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione has a molecular weight of 350.35 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoroanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione is sourced from PubChem (CID 53376050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).