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

C21H18N2O4 — CID 56659326

IUPAC8-(4-methoxyanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
SMILESCOc1ccc(NC2=CC(=O)c3c(c(C)nc4c3C(=O)CCC4)C2=O)cc1
InChIInChI=1S/C21H18N2O4/c1-11-18-20(19-14(22-11)4-3-5-16(19)24)17(25)10-15(21(18)26)23-12-6-8-13(27-2)9-7-12/h6-10,23H,3-5H2,1-2H3
InChIKeyCNTVNLJAMVXXRV-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.29
Rot. Bonds3

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

8-(4-methoxyanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione (PubChem CID 56659326) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 8-(4-methoxyanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione.

Molecular Properties

Compound Name8-(4-methoxyanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
PubChem CID56659326
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name8-(4-methoxyanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
SMILESCOc1ccc(NC2=CC(=O)c3c(c(C)nc4c3C(=O)CCC4)C2=O)cc1
InChIInChI=1S/C21H18N2O4/c1-11-18-20(19-14(22-11)4-3-5-16(19)24)17(25)10-15(21(18)26)23-12-6-8-13(27-2)9-7-12/h6-10,23H,3-5H2,1-2H3
InChIKeyCNTVNLJAMVXXRV-UHFFFAOYSA-N
XLogP3.29
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.29
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-(4-methoxyanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The IUPAC name of 8-(4-methoxyanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione (CID 56659326) is 8-(4-methoxyanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione.
What is the SMILES notation for 8-(4-methoxyanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The canonical SMILES for 8-(4-methoxyanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione is COc1ccc(NC2=CC(=O)c3c(c(C)nc4c3C(=O)CCC4)C2=O)cc1.
What is the InChIKey of 8-(4-methoxyanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The InChIKey is CNTVNLJAMVXXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-11-18-20(19-14(22-11)4-3-5-16(19)24)17(25)10-15(21(18)26)23-12-6-8-13(27-2)9-7-12/h6-10,23H,3-5H2,1-2H3.
What are the key properties of 8-(4-methoxyanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
8-(4-methoxyanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione has a molecular weight of 362.39 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione is sourced from PubChem (CID 56659326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).