ethyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate

C19H17NO3 — CID 11529633

IUPACethyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O
InChIInChI=1S/C19H17NO3/c1-2-23-19(22)16-12-20-17-9-8-14(11-15(17)18(16)21)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,20,21)
InChIKeyWQYYZNGOTUCWQX-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.30
Rot. Bonds4

About ethyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate

ethyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 11529633) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate
PubChem CID11529633
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Nameethyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O
InChIInChI=1S/C19H17NO3/c1-2-23-19(22)16-12-20-17-9-8-14(11-15(17)18(16)21)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,20,21)
InChIKeyWQYYZNGOTUCWQX-UHFFFAOYSA-N
XLogP3.30
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate (CID 11529633) is ethyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O.
What is the InChIKey of ethyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is WQYYZNGOTUCWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-2-23-19(22)16-12-20-17-9-8-14(11-15(17)18(16)21)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,20,21).
What are the key properties of ethyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate?
ethyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 11529633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).