(4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate

C21H21NO2 — CID 7501789

IUPAC(4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
SMILESCCc1nc2ccccc2c(C)c1C(=O)OCc1ccc(C)cc1
InChIInChI=1S/C21H21NO2/c1-4-18-20(15(3)17-7-5-6-8-19(17)22-18)21(23)24-13-16-11-9-14(2)10-12-16/h5-12H,4,13H2,1-3H3
InChIKeyJQPHMQFGZBQBDL-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.77
Rot. Bonds4

About (4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate

(4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate (PubChem CID 7501789) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is (4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
PubChem CID7501789
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name(4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
SMILESCCc1nc2ccccc2c(C)c1C(=O)OCc1ccc(C)cc1
InChIInChI=1S/C21H21NO2/c1-4-18-20(15(3)17-7-5-6-8-19(17)22-18)21(23)24-13-16-11-9-14(2)10-12-16/h5-12H,4,13H2,1-3H3
InChIKeyJQPHMQFGZBQBDL-UHFFFAOYSA-N
XLogP4.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18144423
(2-methoxy-5-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501206
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7502520
[2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7502181
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 8536657
2-(2,6-dichlorophenoxy)ethyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 7502470
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501904
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501896
(4-nitrophenyl)methyl 2,4-dimethylquinoline-3-carboxylate
CID 8824958
(3-ethoxycarbonyl-4-methylquinolin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 38080268
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8536278
ethyl 2-[(4-formylbenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate
CID 4853451

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate?
The IUPAC name of (4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate (CID 7501789) is (4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate.
What is the SMILES notation for (4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate?
The canonical SMILES for (4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate is CCc1nc2ccccc2c(C)c1C(=O)OCc1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate?
The InChIKey is JQPHMQFGZBQBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-4-18-20(15(3)17-7-5-6-8-19(17)22-18)21(23)24-13-16-11-9-14(2)10-12-16/h5-12H,4,13H2,1-3H3.
What are the key properties of (4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate?
(4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate is sourced from PubChem (CID 7501789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).