methyl 6,9-dioxo-8,10-dihydro-7H-phenanthridine-5-carboxylate

C15H13NO4 — CID 10754571

IUPACmethyl 6,9-dioxo-8,10-dihydro-7H-phenanthridine-5-carboxylate
SMILESCOC(=O)n1c(=O)c2c(c3ccccc31)CC(=O)CC2
InChIInChI=1S/C15H13NO4/c1-20-15(19)16-13-5-3-2-4-10(13)12-8-9(17)6-7-11(12)14(16)18/h2-5H,6-8H2,1H3
InChIKeyPRQGKACIKWJOKL-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.67
Rot. Bonds

About methyl 6,9-dioxo-8,10-dihydro-7H-phenanthridine-5-carboxylate

methyl 6,9-dioxo-8,10-dihydro-7H-phenanthridine-5-carboxylate (PubChem CID 10754571) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is methyl 6,9-dioxo-8,10-dihydro-7H-phenanthridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6,9-dioxo-8,10-dihydro-7H-phenanthridine-5-carboxylate
PubChem CID10754571
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Namemethyl 6,9-dioxo-8,10-dihydro-7H-phenanthridine-5-carboxylate
SMILESCOC(=O)n1c(=O)c2c(c3ccccc31)CC(=O)CC2
InChIInChI=1S/C15H13NO4/c1-20-15(19)16-13-5-3-2-4-10(13)12-8-9(17)6-7-11(12)14(16)18/h2-5H,6-8H2,1H3
InChIKeyPRQGKACIKWJOKL-UHFFFAOYSA-N
XLogP1.67
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6,9-dioxo-8,10-dihydro-7H-phenanthridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6'-oxospiro[1,3-dioxolane-2,9'-8,10-dihydro-7H-phenanthridine]-5'-carboxylate
CID 10757708
tert-butyl 8-oxo-6,7,9,10-tetrahydrocyclohepta[b]indole-5-carboxylate
CID 102202923
9-methyl-2,4-dihydro-1H-carbazol-3-one
CID 12026696
trimethyl 2-methyl-1H-pyrrolo[2,3-b]indole-2,3,4-tricarboxylate
CID 10617552
9-ethyl-2,4-dihydro-1H-carbazol-3-one
CID 12026697
dimethyl (1R,15R,18R)-17-acetyl-14-oxo-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1,3-dicarboxylate
CID 25241931
methyl 6-oxo-9-propan-2-yl-7,8-dihydro-5H-carbazole-1-carboxylate
CID 84613276
tert-butyl 5-methyl-6-oxo-7H-indolo[3,2-d][1]benzazepine-12-carboxylate
CID 57331951
methyl 2,3-dioxoaziridine-1-carboxylate
CID 151266913
methyl 1-methyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate
CID 102085932
9-acetyl-3,4-dihydro-2H-carbazol-1-one
CID 853608
dimethyl 9-methyl-3,4-dihydrocarbazole-1,2-dicarboxylate
CID 18366732

Frequently Asked Questions

What is the IUPAC name of methyl 6,9-dioxo-8,10-dihydro-7H-phenanthridine-5-carboxylate?
The IUPAC name of methyl 6,9-dioxo-8,10-dihydro-7H-phenanthridine-5-carboxylate (CID 10754571) is methyl 6,9-dioxo-8,10-dihydro-7H-phenanthridine-5-carboxylate.
What is the SMILES notation for methyl 6,9-dioxo-8,10-dihydro-7H-phenanthridine-5-carboxylate?
The canonical SMILES for methyl 6,9-dioxo-8,10-dihydro-7H-phenanthridine-5-carboxylate is COC(=O)n1c(=O)c2c(c3ccccc31)CC(=O)CC2.
What is the InChIKey of methyl 6,9-dioxo-8,10-dihydro-7H-phenanthridine-5-carboxylate?
The InChIKey is PRQGKACIKWJOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-20-15(19)16-13-5-3-2-4-10(13)12-8-9(17)6-7-11(12)14(16)18/h2-5H,6-8H2,1H3.
What are the key properties of methyl 6,9-dioxo-8,10-dihydro-7H-phenanthridine-5-carboxylate?
methyl 6,9-dioxo-8,10-dihydro-7H-phenanthridine-5-carboxylate has a molecular weight of 271.27 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,9-dioxo-8,10-dihydro-7H-phenanthridine-5-carboxylate is sourced from PubChem (CID 10754571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).