ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate

C23H19NO3 — CID 15856844

IUPACethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(Cc2cccc3ccccc23)c2ccccc2[nH]c1=O
InChIInChI=1S/C23H19NO3/c1-2-27-23(26)21-19(18-12-5-6-13-20(18)24-22(21)25)14-16-10-7-9-15-8-3-4-11-17(15)16/h3-13H,2,14H2,1H3,(H,24,25)
InChIKeySZSLRECXYDLMNR-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.45
Rot. Bonds4

About ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate

ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 15856844) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate
PubChem CID15856844
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Nameethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(Cc2cccc3ccccc23)c2ccccc2[nH]c1=O
InChIInChI=1S/C23H19NO3/c1-2-27-23(26)21-19(18-12-5-6-13-20(18)24-22(21)25)14-16-10-7-9-15-8-3-4-11-17(15)16/h3-13H,2,14H2,1H3,(H,24,25)
InChIKeySZSLRECXYDLMNR-UHFFFAOYSA-N
XLogP4.45
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(iodomethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 89329733
ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 21474001
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate
CID 913206
4-O-ethyl 2-O-(naphthalen-1-ylmethyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7278365
ethyl 5-chloro-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 90455879
ethyl 3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 12677994
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
ethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate
CID 91901357
ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate
CID 779668
ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate
CID 913126

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate (CID 15856844) is ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(Cc2cccc3ccccc23)c2ccccc2[nH]c1=O.
What is the InChIKey of ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is SZSLRECXYDLMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-2-27-23(26)21-19(18-12-5-6-13-20(18)24-22(21)25)14-16-10-7-9-15-8-3-4-11-17(15)16/h3-13H,2,14H2,1H3,(H,24,25).
What are the key properties of ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate?
ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 15856844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).