ethyl 6H-phenanthridine-5-carboxylate

C16H15NO2 — CID 3035349

IUPACethyl 6H-phenanthridine-5-carboxylate
SMILESCCOC(=O)N1Cc2ccccc2-c2ccccc21
InChIInChI=1S/C16H15NO2/c1-2-19-16(18)17-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)17/h3-10H,2,11H2,1H3
InChIKeyKAJKCHGGCRPQLG-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.83
Rot. Bonds1

About ethyl 6H-phenanthridine-5-carboxylate

ethyl 6H-phenanthridine-5-carboxylate (PubChem CID 3035349) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 6H-phenanthridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6H-phenanthridine-5-carboxylate
PubChem CID3035349
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Nameethyl 6H-phenanthridine-5-carboxylate
SMILESCCOC(=O)N1Cc2ccccc2-c2ccccc21
InChIInChI=1S/C16H15NO2/c1-2-19-16(18)17-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)17/h3-10H,2,11H2,1H3
InChIKeyKAJKCHGGCRPQLG-UHFFFAOYSA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 6H-phenanthridine-5-carboxylate?
The IUPAC name of ethyl 6H-phenanthridine-5-carboxylate (CID 3035349) is ethyl 6H-phenanthridine-5-carboxylate.
What is the SMILES notation for ethyl 6H-phenanthridine-5-carboxylate?
The canonical SMILES for ethyl 6H-phenanthridine-5-carboxylate is CCOC(=O)N1Cc2ccccc2-c2ccccc21.
What is the InChIKey of ethyl 6H-phenanthridine-5-carboxylate?
The InChIKey is KAJKCHGGCRPQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-19-16(18)17-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)17/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 6H-phenanthridine-5-carboxylate?
ethyl 6H-phenanthridine-5-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6H-phenanthridine-5-carboxylate is sourced from PubChem (CID 3035349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).