ethyl 2-methyl-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate

C19H19NO3 — CID 2763935

IUPACethyl 2-methyl-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(c1-c1ccccc1)C(=O)CCC2
InChIInChI=1S/C19H19NO3/c1-3-23-19(22)16-12(2)20-14-10-7-11-15(21)18(14)17(16)13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-11H2,1-2H3
InChIKeyNGSDYUOEXXLGHF-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.75
Rot. Bonds3

About ethyl 2-methyl-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate

ethyl 2-methyl-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate (PubChem CID 2763935) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 2-methyl-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate
PubChem CID2763935
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Nameethyl 2-methyl-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(c1-c1ccccc1)C(=O)CCC2
InChIInChI=1S/C19H19NO3/c1-3-23-19(22)16-12(2)20-14-10-7-11-15(21)18(14)17(16)13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-11H2,1-2H3
InChIKeyNGSDYUOEXXLGHF-UHFFFAOYSA-N
XLogP3.75
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate?
The IUPAC name of ethyl 2-methyl-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate (CID 2763935) is ethyl 2-methyl-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate is CCOC(=O)c1c(C)nc2c(c1-c1ccccc1)C(=O)CCC2.
What is the InChIKey of ethyl 2-methyl-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate?
The InChIKey is NGSDYUOEXXLGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-23-19(22)16-12(2)20-14-10-7-11-15(21)18(14)17(16)13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-11H2,1-2H3.
What are the key properties of ethyl 2-methyl-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate?
ethyl 2-methyl-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate is sourced from PubChem (CID 2763935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).