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

C20H19NO3 — CID 11594914

IUPACpropyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate
SMILESCCCOC(=O)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O
InChIInChI=1S/C20H19NO3/c1-2-10-24-20(23)17-13-21-18-9-8-15(12-16(18)19(17)22)11-14-6-4-3-5-7-14/h3-9,12-13H,2,10-11H2,1H3,(H,21,22)
InChIKeyJIOMLDXNFGNQFW-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.69
Rot. Bonds5

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

propyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 11594914) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is propyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namepropyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate
PubChem CID11594914
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Namepropyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate
SMILESCCCOC(=O)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O
InChIInChI=1S/C20H19NO3/c1-2-10-24-20(23)17-13-21-18-9-8-15(12-16(18)19(17)22)11-14-6-4-3-5-7-14/h3-9,12-13H,2,10-11H2,1H3,(H,21,22)
InChIKeyJIOMLDXNFGNQFW-UHFFFAOYSA-N
XLogP3.69
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of propyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate (CID 11594914) is propyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for propyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for propyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate is CCCOC(=O)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O.
What is the InChIKey of propyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is JIOMLDXNFGNQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-2-10-24-20(23)17-13-21-18-9-8-15(12-16(18)19(17)22)11-14-6-4-3-5-7-14/h3-9,12-13H,2,10-11H2,1H3,(H,21,22).
What are the key properties of propyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate?
propyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 11594914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).