ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate

C14H16N2O3 — CID 46397911

IUPACethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1NC
InChIInChI=1S/C14H16N2O3/c1-4-19-14(17)11-8-16-12-6-5-9(18-3)7-10(12)13(11)15-2/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyHQOYLMRKNGWSBF-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.46
Rot. Bonds4

About ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate

ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate (PubChem CID 46397911) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
PubChem CID46397911
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1NC
InChIInChI=1S/C14H16N2O3/c1-4-19-14(17)11-8-16-12-6-5-9(18-3)7-10(12)13(11)15-2/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyHQOYLMRKNGWSBF-UHFFFAOYSA-N
XLogP2.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate
CID 2791600
ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate
CID 23903151
3-[(3-ethoxycarbonyl-6-methoxyquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790549
3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate
CID 46397906
ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 54773034
4-bromo-6-methoxyquinoline-3-carboxylic acid;ethyl 4-bromo-6-methoxyquinoline-3-carboxylate
CID 68806216
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate
CID 1032904
ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 705522
ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 22333887
ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate
CID 696570
ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 1187166

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate (CID 46397911) is ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OC)cc2c1NC.
What is the InChIKey of ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate?
The InChIKey is HQOYLMRKNGWSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-4-19-14(17)11-8-16-12-6-5-9(18-3)7-10(12)13(11)15-2/h5-8H,4H2,1-3H3,(H,15,16).
What are the key properties of ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate?
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate is sourced from PubChem (CID 46397911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).