methyl 8-ethyl-6-oxo-5H-phenanthridine-4-carboxylate

C17H15NO3 — CID 178050328

IUPACmethyl 8-ethyl-6-oxo-5H-phenanthridine-4-carboxylate
SMILESCCc1ccc2c(c1)c(=O)[nH]c1c(C(=O)OC)cccc12
InChIInChI=1S/C17H15NO3/c1-3-10-7-8-11-12-5-4-6-13(17(20)21-2)15(12)18-16(19)14(11)9-10/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyJIABBYARNPUKNA-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.03
Rot. Bonds2

About methyl 8-ethyl-6-oxo-5H-phenanthridine-4-carboxylate

methyl 8-ethyl-6-oxo-5H-phenanthridine-4-carboxylate (PubChem CID 178050328) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 8-ethyl-6-oxo-5H-phenanthridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-ethyl-6-oxo-5H-phenanthridine-4-carboxylate
PubChem CID178050328
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 8-ethyl-6-oxo-5H-phenanthridine-4-carboxylate
SMILESCCc1ccc2c(c1)c(=O)[nH]c1c(C(=O)OC)cccc12
InChIInChI=1S/C17H15NO3/c1-3-10-7-8-11-12-5-4-6-13(17(20)21-2)15(12)18-16(19)14(11)9-10/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyJIABBYARNPUKNA-UHFFFAOYSA-N
XLogP3.03
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-iodo-2-methyl-4-oxo-1H-quinoline-8-carboxylate
CID 102537528
methyl 6-oxo-1,2,3,4,5,7-hexahydroazepino[3,2-c]quinoline-8-carboxylate
CID 58199972
9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
CID 175444407
2-(8-ethyl-6-oxo-5H-phenanthridin-2-yl)-N-methylacetamide
CID 178050362
methyl 2-(diethylamino)-4-oxo-5H-[1,3]thiazolo[5,4-c]quinoline-6-carboxylate
CID 58189584
methyl 3,3,5-trioxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carboxylate
CID 58199966
methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate
CID 10244019
methyl 5-methyl-1-oxo-2H-isoquinoline-3-carboxylate
CID 114517663
methyl 3-amino-2-(3-ethylphenoxy)benzoate
CID 115935681
ethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate
CID 143617162
ethyl 2-methyl-4-oxo-1H-quinoline-8-carboxylate
CID 905569
methyl 5-[2-(9,10-diethylanthracen-2-yl)ethyl]-2-methylbenzoate
CID 159378092

Frequently Asked Questions

What is the IUPAC name of methyl 8-ethyl-6-oxo-5H-phenanthridine-4-carboxylate?
The IUPAC name of methyl 8-ethyl-6-oxo-5H-phenanthridine-4-carboxylate (CID 178050328) is methyl 8-ethyl-6-oxo-5H-phenanthridine-4-carboxylate.
What is the SMILES notation for methyl 8-ethyl-6-oxo-5H-phenanthridine-4-carboxylate?
The canonical SMILES for methyl 8-ethyl-6-oxo-5H-phenanthridine-4-carboxylate is CCc1ccc2c(c1)c(=O)[nH]c1c(C(=O)OC)cccc12.
What is the InChIKey of methyl 8-ethyl-6-oxo-5H-phenanthridine-4-carboxylate?
The InChIKey is JIABBYARNPUKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-3-10-7-8-11-12-5-4-6-13(17(20)21-2)15(12)18-16(19)14(11)9-10/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of methyl 8-ethyl-6-oxo-5H-phenanthridine-4-carboxylate?
methyl 8-ethyl-6-oxo-5H-phenanthridine-4-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-ethyl-6-oxo-5H-phenanthridine-4-carboxylate is sourced from PubChem (CID 178050328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).