benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate

C20H19NO3 — CID 18144423

IUPACbenzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
SMILESCOCc1nc2ccccc2c(C)c1C(=O)OCc1ccccc1
InChIInChI=1S/C20H19NO3/c1-14-16-10-6-7-11-17(16)21-18(13-23-2)19(14)20(22)24-12-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3
InChIKeyRTMAKAXARVAKHF-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.05
Rot. Bonds5

About benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate

benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate (PubChem CID 18144423) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
PubChem CID18144423
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Namebenzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
SMILESCOCc1nc2ccccc2c(C)c1C(=O)OCc1ccccc1
InChIInChI=1S/C20H19NO3/c1-14-16-10-6-7-11-17(16)21-18(13-23-2)19(14)20(22)24-12-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3
InChIKeyRTMAKAXARVAKHF-UHFFFAOYSA-N
XLogP4.05
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylamino)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18149529
[(E)-but-2-enyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 55563291
(4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501789
[2-(N-methylanilino)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18144426
[(E)-3-phenylprop-2-enyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 46511818
3-cyanopropyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 46574583
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18144482
[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18144453
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 30344284
methyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate
CID 8603013
(3-ethoxycarbonyl-4-methylquinolin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 38080268
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 55536995

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate?
The IUPAC name of benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate (CID 18144423) is benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate.
What is the SMILES notation for benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate?
The canonical SMILES for benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate is COCc1nc2ccccc2c(C)c1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate?
The InChIKey is RTMAKAXARVAKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14-16-10-6-7-11-17(16)21-18(13-23-2)19(14)20(22)24-12-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3.
What are the key properties of benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate?
benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate is sourced from PubChem (CID 18144423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).