ethyl 3-methylpyrrolo[1,2-f]phenanthridine-7-carboxylate

C20H17NO2 — CID 102385252

IUPACethyl 3-methylpyrrolo[1,2-f]phenanthridine-7-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1ccccc1c1ccc(C)n12
InChIInChI=1S/C20H17NO2/c1-3-23-20(22)14-9-11-19-17(12-14)15-6-4-5-7-16(15)18-10-8-13(2)21(18)19/h4-12H,3H2,1-2H3
InChIKeyUVHWLLVAVFSITR-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.73
Rot. Bonds2

About ethyl 3-methylpyrrolo[1,2-f]phenanthridine-7-carboxylate

ethyl 3-methylpyrrolo[1,2-f]phenanthridine-7-carboxylate (PubChem CID 102385252) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is ethyl 3-methylpyrrolo[1,2-f]phenanthridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 3-methylpyrrolo[1,2-f]phenanthridine-7-carboxylate
PubChem CID102385252
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Nameethyl 3-methylpyrrolo[1,2-f]phenanthridine-7-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1ccccc1c1ccc(C)n12
InChIInChI=1S/C20H17NO2/c1-3-23-20(22)14-9-11-19-17(12-14)15-6-4-5-7-16(15)18-10-8-13(2)21(18)19/h4-12H,3H2,1-2H3
InChIKeyUVHWLLVAVFSITR-UHFFFAOYSA-N
XLogP4.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methylpyrrolo[1,2-f]phenanthridine-7-carboxylate?
The IUPAC name of ethyl 3-methylpyrrolo[1,2-f]phenanthridine-7-carboxylate (CID 102385252) is ethyl 3-methylpyrrolo[1,2-f]phenanthridine-7-carboxylate.
What is the SMILES notation for ethyl 3-methylpyrrolo[1,2-f]phenanthridine-7-carboxylate?
The canonical SMILES for ethyl 3-methylpyrrolo[1,2-f]phenanthridine-7-carboxylate is CCOC(=O)c1ccc2c(c1)c1ccccc1c1ccc(C)n12.
What is the InChIKey of ethyl 3-methylpyrrolo[1,2-f]phenanthridine-7-carboxylate?
The InChIKey is UVHWLLVAVFSITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-3-23-20(22)14-9-11-19-17(12-14)15-6-4-5-7-16(15)18-10-8-13(2)21(18)19/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 3-methylpyrrolo[1,2-f]phenanthridine-7-carboxylate?
ethyl 3-methylpyrrolo[1,2-f]phenanthridine-7-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methylpyrrolo[1,2-f]phenanthridine-7-carboxylate is sourced from PubChem (CID 102385252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).