ethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate

C23H19NO2 — CID 91689284

IUPACethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)c3ccccc23)nc2ccccc12
InChIInChI=1S/C23H19NO2/c1-3-26-23(25)20-14-22(24-21-11-7-6-10-18(20)21)19-13-12-15(2)16-8-4-5-9-17(16)19/h4-14H,3H2,1-2H3
InChIKeyRWJFLTHFZNKYCB-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.54
Rot. Bonds3

About ethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate

ethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate (PubChem CID 91689284) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate
PubChem CID91689284
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Nameethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)c3ccccc23)nc2ccccc12
InChIInChI=1S/C23H19NO2/c1-3-26-23(25)20-14-22(24-21-11-7-6-10-18(20)21)19-13-12-15(2)16-8-4-5-9-17(16)19/h4-14H,3H2,1-2H3
InChIKeyRWJFLTHFZNKYCB-UHFFFAOYSA-N
XLogP5.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate
CID 91689285
[2-(carbamoylamino)-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 42971764
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 55400967
ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate
CID 67204819
[2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2092168
hexyl 2-(4-octoxycarbonylquinolin-2-yl)quinoline-4-carboxylate
CID 3428854
[2-oxo-2-(prop-2-enylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 3952785
phenacyl 2-(5-tert-butyl-2,3-dimethylphenyl)quinoline-4-carboxylate
CID 23937506
(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2373664
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 16544043
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 2335666
(4-tert-butyl-2,6-dimethylphenyl)methyl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 3993982

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate?
The IUPAC name of ethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate (CID 91689284) is ethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate?
The canonical SMILES for ethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate is CCOC(=O)c1cc(-c2ccc(C)c3ccccc23)nc2ccccc12.
What is the InChIKey of ethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate?
The InChIKey is RWJFLTHFZNKYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-3-26-23(25)20-14-22(24-21-11-7-6-10-18(20)21)19-13-12-15(2)16-8-4-5-9-17(16)19/h4-14H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate?
ethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate is sourced from PubChem (CID 91689284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).