benzyl 2-methylquinoline-4-carboxylate

C18H15NO2 — CID 804130

IUPACbenzyl 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H15NO2/c1-13-11-16(15-9-5-6-10-17(15)19-13)18(20)21-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyBAMPGFIWPJDBER-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.90
Rot. Bonds3

About benzyl 2-methylquinoline-4-carboxylate

benzyl 2-methylquinoline-4-carboxylate (PubChem CID 804130) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is benzyl 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-methylquinoline-4-carboxylate
PubChem CID804130
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Namebenzyl 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H15NO2/c1-13-11-16(15-9-5-6-10-17(15)19-13)18(20)21-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyBAMPGFIWPJDBER-UHFFFAOYSA-N
XLogP3.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 164676582
(2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate
CID 2432200
2-(3-ethylphenoxy)ethyl 2-methylquinoline-4-carboxylate
CID 8896472
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate
CID 16508797
benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2366983
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methylquinoline-4-carboxylate
CID 7648539
[2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 882322
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-methylquinoline-4-carboxylate
CID 8002860
2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate
CID 7351431
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 8577430
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylquinoline-4-carboxylate
CID 2484445
(4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate
CID 4602082

Frequently Asked Questions

What is the IUPAC name of benzyl 2-methylquinoline-4-carboxylate?
The IUPAC name of benzyl 2-methylquinoline-4-carboxylate (CID 804130) is benzyl 2-methylquinoline-4-carboxylate.
What is the SMILES notation for benzyl 2-methylquinoline-4-carboxylate?
The canonical SMILES for benzyl 2-methylquinoline-4-carboxylate is Cc1cc(C(=O)OCc2ccccc2)c2ccccc2n1.
What is the InChIKey of benzyl 2-methylquinoline-4-carboxylate?
The InChIKey is BAMPGFIWPJDBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-13-11-16(15-9-5-6-10-17(15)19-13)18(20)21-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3.
What are the key properties of benzyl 2-methylquinoline-4-carboxylate?
benzyl 2-methylquinoline-4-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 804130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).