ethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate

C17H17NO3 — CID 132522989

IUPACethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate
SMILESCCOC(=O)C1Nc2ccc(OC)cc2-c2ccccc21
InChIInChI=1S/C17H17NO3/c1-3-21-17(19)16-13-7-5-4-6-12(13)14-10-11(20-2)8-9-15(14)18-16/h4-10,16,18H,3H2,1-2H3
InChIKeyLVCWTRDQFFAAHH-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.39
Rot. Bonds3

About ethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate

ethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate (PubChem CID 132522989) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate
PubChem CID132522989
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Nameethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate
SMILESCCOC(=O)C1Nc2ccc(OC)cc2-c2ccccc21
InChIInChI=1S/C17H17NO3/c1-3-21-17(19)16-13-7-5-4-6-12(13)14-10-11(20-2)8-9-15(14)18-16/h4-10,16,18H,3H2,1-2H3
InChIKeyLVCWTRDQFFAAHH-UHFFFAOYSA-N
XLogP3.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate?
The IUPAC name of ethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate (CID 132522989) is ethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate?
The canonical SMILES for ethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate is CCOC(=O)C1Nc2ccc(OC)cc2-c2ccccc21.
What is the InChIKey of ethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate?
The InChIKey is LVCWTRDQFFAAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-21-17(19)16-13-7-5-4-6-12(13)14-10-11(20-2)8-9-15(14)18-16/h4-10,16,18H,3H2,1-2H3.
What are the key properties of ethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate?
ethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate is sourced from PubChem (CID 132522989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).