methyl 6-ethoxy-2-methoxyquinoline-3-carboxylate

C14H15NO4 — CID 119054863

IUPACmethyl 6-ethoxy-2-methoxyquinoline-3-carboxylate
SMILESCCOc1ccc2nc(OC)c(C(=O)OC)cc2c1
InChIInChI=1S/C14H15NO4/c1-4-19-10-5-6-12-9(7-10)8-11(14(16)18-3)13(15-12)17-2/h5-8H,4H2,1-3H3
InChIKeyFZSHUVARXAAKOU-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.43
Rot. Bonds4

About methyl 6-ethoxy-2-methoxyquinoline-3-carboxylate

methyl 6-ethoxy-2-methoxyquinoline-3-carboxylate (PubChem CID 119054863) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 6-ethoxy-2-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-ethoxy-2-methoxyquinoline-3-carboxylate
PubChem CID119054863
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl 6-ethoxy-2-methoxyquinoline-3-carboxylate
SMILESCCOc1ccc2nc(OC)c(C(=O)OC)cc2c1
InChIInChI=1S/C14H15NO4/c1-4-19-10-5-6-12-9(7-10)8-11(14(16)18-3)13(15-12)17-2/h5-8H,4H2,1-3H3
InChIKeyFZSHUVARXAAKOU-UHFFFAOYSA-N
XLogP2.43
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-chloro-7-ethoxyquinoline-3-carboxylate
CID 119054864
6-ethoxy-2-methylquinoline-3-carboxylic acid
CID 17039997
methyl 2-ethenyl-5-ethoxybenzoate
CID 45094065
methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate
CID 865502
methyl 2-(bromomethyl)-5-ethoxybenzoate
CID 86723822
methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate
CID 25022707
methyl 3-ethoxybenzoate
CID 3267781
methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate
CID 169487758
methyl 5-ethoxy-1-methylindole-2-carboxylate
CID 4777688
methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate
CID 119054850
dimethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 73212602
methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate
CID 86118216

Frequently Asked Questions

What is the IUPAC name of methyl 6-ethoxy-2-methoxyquinoline-3-carboxylate?
The IUPAC name of methyl 6-ethoxy-2-methoxyquinoline-3-carboxylate (CID 119054863) is methyl 6-ethoxy-2-methoxyquinoline-3-carboxylate.
What is the SMILES notation for methyl 6-ethoxy-2-methoxyquinoline-3-carboxylate?
The canonical SMILES for methyl 6-ethoxy-2-methoxyquinoline-3-carboxylate is CCOc1ccc2nc(OC)c(C(=O)OC)cc2c1.
What is the InChIKey of methyl 6-ethoxy-2-methoxyquinoline-3-carboxylate?
The InChIKey is FZSHUVARXAAKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-4-19-10-5-6-12-9(7-10)8-11(14(16)18-3)13(15-12)17-2/h5-8H,4H2,1-3H3.
What are the key properties of methyl 6-ethoxy-2-methoxyquinoline-3-carboxylate?
methyl 6-ethoxy-2-methoxyquinoline-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethoxy-2-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 119054863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).