methyl 8-methoxy-4-methylquinoline-6-carboxylate

C13H13NO3 — CID 71521814

IUPACmethyl 8-methoxy-4-methylquinoline-6-carboxylate
SMILESCOC(=O)c1cc(OC)c2nccc(C)c2c1
InChIInChI=1S/C13H13NO3/c1-8-4-5-14-12-10(8)6-9(13(15)17-3)7-11(12)16-2/h4-7H,1-3H3
InChIKeyZUUZCSBQSDAXJI-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.34
Rot. Bonds2

About methyl 8-methoxy-4-methylquinoline-6-carboxylate

methyl 8-methoxy-4-methylquinoline-6-carboxylate (PubChem CID 71521814) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl 8-methoxy-4-methylquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-methoxy-4-methylquinoline-6-carboxylate
PubChem CID71521814
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Namemethyl 8-methoxy-4-methylquinoline-6-carboxylate
SMILESCOC(=O)c1cc(OC)c2nccc(C)c2c1
InChIInChI=1S/C13H13NO3/c1-8-4-5-14-12-10(8)6-9(13(15)17-3)7-11(12)16-2/h4-7H,1-3H3
InChIKeyZUUZCSBQSDAXJI-UHFFFAOYSA-N
XLogP2.34
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-4,6-dimethylquinoline
CID 58053088
methyl 1-chloro-5-methoxyisoquinoline-7-carboxylate
CID 170744620
methyl 8-methoxycinnoline-6-carboxylate
CID 156872747
N-hydroxy-4,8-dimethylquinoline-6-carboxamide
CID 82574406
methyl 5-methyl-1-(methylamino)isoquinoline-7-carboxylate
CID 170744662
methyl 2-fluoro-8-methoxy-3-methylquinoline-6-carboxylate
CID 156896227
6-methoxy-4-methylbenzo[h]quinoline
CID 11009579
methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate
CID 170611745
methyl 3-fluoro-8-methoxycinnoline-6-carboxylate
CID 156872839
ethane;methyl 4-chloro-3-methoxy-5-methylbenzoate
CID 145414016
methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 71721167
methyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate
CID 156872967

Frequently Asked Questions

What is the IUPAC name of methyl 8-methoxy-4-methylquinoline-6-carboxylate?
The IUPAC name of methyl 8-methoxy-4-methylquinoline-6-carboxylate (CID 71521814) is methyl 8-methoxy-4-methylquinoline-6-carboxylate.
What is the SMILES notation for methyl 8-methoxy-4-methylquinoline-6-carboxylate?
The canonical SMILES for methyl 8-methoxy-4-methylquinoline-6-carboxylate is COC(=O)c1cc(OC)c2nccc(C)c2c1.
What is the InChIKey of methyl 8-methoxy-4-methylquinoline-6-carboxylate?
The InChIKey is ZUUZCSBQSDAXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8-4-5-14-12-10(8)6-9(13(15)17-3)7-11(12)16-2/h4-7H,1-3H3.
What are the key properties of methyl 8-methoxy-4-methylquinoline-6-carboxylate?
methyl 8-methoxy-4-methylquinoline-6-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methoxy-4-methylquinoline-6-carboxylate is sourced from PubChem (CID 71521814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).