benzyl 6-methoxy-2-methylquinoline-4-carboxylate

C19H17NO3 — CID 164676582

IUPACbenzyl 6-methoxy-2-methylquinoline-4-carboxylate
SMILESCOc1ccc2nc(C)cc(C(=O)OCc3ccccc3)c2c1
InChIInChI=1S/C19H17NO3/c1-13-10-17(16-11-15(22-2)8-9-18(16)20-13)19(21)23-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyOZCOYQYKKONFST-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.91
Rot. Bonds4

About benzyl 6-methoxy-2-methylquinoline-4-carboxylate

benzyl 6-methoxy-2-methylquinoline-4-carboxylate (PubChem CID 164676582) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is benzyl 6-methoxy-2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Namebenzyl 6-methoxy-2-methylquinoline-4-carboxylate
PubChem CID164676582
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Namebenzyl 6-methoxy-2-methylquinoline-4-carboxylate
SMILESCOc1ccc2nc(C)cc(C(=O)OCc3ccccc3)c2c1
InChIInChI=1S/C19H17NO3/c1-13-10-17(16-11-15(22-2)8-9-18(16)20-13)19(21)23-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyOZCOYQYKKONFST-UHFFFAOYSA-N
XLogP3.91
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-methylquinoline-4-carboxylate
CID 804130
cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 75422217
methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82667452
2-methyl-6-phenylmethoxyquinoline-4-carbothioamide
CID 82574282
benzyl 2-iodo-5-methoxybenzoate
CID 172646545
benzyl 2-fluoro-4-methoxybenzoate
CID 103602947
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,6-dimethylquinoline-4-carboxylate
CID 18085554
N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide
CID 110001393
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
[2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484557
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220

Frequently Asked Questions

What is the IUPAC name of benzyl 6-methoxy-2-methylquinoline-4-carboxylate?
The IUPAC name of benzyl 6-methoxy-2-methylquinoline-4-carboxylate (CID 164676582) is benzyl 6-methoxy-2-methylquinoline-4-carboxylate.
What is the SMILES notation for benzyl 6-methoxy-2-methylquinoline-4-carboxylate?
The canonical SMILES for benzyl 6-methoxy-2-methylquinoline-4-carboxylate is COc1ccc2nc(C)cc(C(=O)OCc3ccccc3)c2c1.
What is the InChIKey of benzyl 6-methoxy-2-methylquinoline-4-carboxylate?
The InChIKey is OZCOYQYKKONFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-13-10-17(16-11-15(22-2)8-9-18(16)20-13)19(21)23-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of benzyl 6-methoxy-2-methylquinoline-4-carboxylate?
benzyl 6-methoxy-2-methylquinoline-4-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-methoxy-2-methylquinoline-4-carboxylate is sourced from PubChem (CID 164676582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).