methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate

C16H19NO4 — CID 102941918

IUPACmethyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OC(C)C)c2c(C)ccc(OC)c2n1
InChIInChI=1S/C16H19NO4/c1-9(2)21-13-8-11(16(18)20-5)17-15-12(19-4)7-6-10(3)14(13)15/h6-9H,1-5H3
InChIKeyCUJLBVVOVQUNJB-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.13
Rot. Bonds4

About methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate

methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate (PubChem CID 102941918) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate
PubChem CID102941918
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OC(C)C)c2c(C)ccc(OC)c2n1
InChIInChI=1S/C16H19NO4/c1-9(2)21-13-8-11(16(18)20-5)17-15-12(19-4)7-6-10(3)14(13)15/h6-9H,1-5H3
InChIKeyCUJLBVVOVQUNJB-UHFFFAOYSA-N
XLogP3.13
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102942117
methyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
CID 102942028
methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941983
methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate
CID 114250699
methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941932
methyl 8-chloro-6-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941876
methyl 3-methyl-4-propan-2-yloxybenzoate
CID 58439062
methyl 5,7-difluoro-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941854
2-(8-methoxy-4,5-dimethylquinolin-2-yl)propanoic acid
CID 84637663
methyl 4-methyl-3-propan-2-yloxybenzoate
CID 23157412
8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid
CID 102941896
methyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate
CID 10040709

Frequently Asked Questions

What is the IUPAC name of methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate?
The IUPAC name of methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate (CID 102941918) is methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate.
What is the SMILES notation for methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate?
The canonical SMILES for methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate is COC(=O)c1cc(OC(C)C)c2c(C)ccc(OC)c2n1.
What is the InChIKey of methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate?
The InChIKey is CUJLBVVOVQUNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-9(2)21-13-8-11(16(18)20-5)17-15-12(19-4)7-6-10(3)14(13)15/h6-9H,1-5H3.
What are the key properties of methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate?
methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate is sourced from PubChem (CID 102941918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).