ethyl 2-(10-methoxyphenanthridin-6-yl)-2-methylpropanoate

C20H21NO3 — CID 165176439

IUPACethyl 2-(10-methoxyphenanthridin-6-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1nc2ccccc2c2c(OC)cccc12
InChIInChI=1S/C20H21NO3/c1-5-24-19(22)20(2,3)18-14-10-8-12-16(23-4)17(14)13-9-6-7-11-15(13)21-18/h6-12H,5H2,1-4H3
InChIKeyXBZYQKVBSLHACV-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.24
Rot. Bonds4

About ethyl 2-(10-methoxyphenanthridin-6-yl)-2-methylpropanoate

ethyl 2-(10-methoxyphenanthridin-6-yl)-2-methylpropanoate (PubChem CID 165176439) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl 2-(10-methoxyphenanthridin-6-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(10-methoxyphenanthridin-6-yl)-2-methylpropanoate
PubChem CID165176439
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Nameethyl 2-(10-methoxyphenanthridin-6-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1nc2ccccc2c2c(OC)cccc12
InChIInChI=1S/C20H21NO3/c1-5-24-19(22)20(2,3)18-14-10-8-12-16(23-4)17(14)13-9-6-7-11-15(13)21-18/h6-12H,5H2,1-4H3
InChIKeyXBZYQKVBSLHACV-UHFFFAOYSA-N
XLogP4.24
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(10-methoxyphenanthridin-6-yl)-phenylmethanone
CID 132851080
ethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate
CID 142191892
5-methoxy-2-(2-methylbutan-2-yl)quinolin-3-ol
CID 165487728
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 121014752
ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate
CID 105497849
triethyl (2-methoxyphenyl)methanetricarboxylate
CID 15732418
ethyl 2-cyano-2-(5-methoxyisoquinolin-1-yl)propanoate
CID 106543851
ethyl 2-cyano-2-(phenanthridin-6-ylmethyl)butanoate
CID 175302666
ethyl 2-amino-2-naphthalen-1-ylpropanoate
CID 60796061
ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate
CID 171559871
ethyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890504

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(10-methoxyphenanthridin-6-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(10-methoxyphenanthridin-6-yl)-2-methylpropanoate (CID 165176439) is ethyl 2-(10-methoxyphenanthridin-6-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(10-methoxyphenanthridin-6-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(10-methoxyphenanthridin-6-yl)-2-methylpropanoate is CCOC(=O)C(C)(C)c1nc2ccccc2c2c(OC)cccc12.
What is the InChIKey of ethyl 2-(10-methoxyphenanthridin-6-yl)-2-methylpropanoate?
The InChIKey is XBZYQKVBSLHACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-5-24-19(22)20(2,3)18-14-10-8-12-16(23-4)17(14)13-9-6-7-11-15(13)21-18/h6-12H,5H2,1-4H3.
What are the key properties of ethyl 2-(10-methoxyphenanthridin-6-yl)-2-methylpropanoate?
ethyl 2-(10-methoxyphenanthridin-6-yl)-2-methylpropanoate has a molecular weight of 323.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(10-methoxyphenanthridin-6-yl)-2-methylpropanoate is sourced from PubChem (CID 165176439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).