ethyl 6-methoxy-4-(thiophen-2-ylmethylamino)quinoline-3-carboxylate

C18H18N2O3S — CID 3615519

IUPACethyl 6-methoxy-4-(thiophen-2-ylmethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1NCc1cccs1
InChIInChI=1S/C18H18N2O3S/c1-3-23-18(21)15-11-19-16-7-6-12(22-2)9-14(16)17(15)20-10-13-5-4-8-24-13/h4-9,11H,3,10H2,1-2H3,(H,19,20)
InChIKeyFAWYSEHQVGQGRB-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.09
Rot. Bonds6

About ethyl 6-methoxy-4-(thiophen-2-ylmethylamino)quinoline-3-carboxylate

ethyl 6-methoxy-4-(thiophen-2-ylmethylamino)quinoline-3-carboxylate (PubChem CID 3615519) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is ethyl 6-methoxy-4-(thiophen-2-ylmethylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-4-(thiophen-2-ylmethylamino)quinoline-3-carboxylate
PubChem CID3615519
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Nameethyl 6-methoxy-4-(thiophen-2-ylmethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1NCc1cccs1
InChIInChI=1S/C18H18N2O3S/c1-3-23-18(21)15-11-19-16-7-6-12(22-2)9-14(16)17(15)20-10-13-5-4-8-24-13/h4-9,11H,3,10H2,1-2H3,(H,19,20)
InChIKeyFAWYSEHQVGQGRB-UHFFFAOYSA-N
XLogP4.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-amino-6-methoxyquinoline-3-carboxylate
CID 16644472
Ethyl 6-methoxy-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxylate
CID 1272562
2-{[3-(Ethoxycarbonyl)-6-methoxyquinolin-4-yl]amino}benzoic acid
CID 1043574
2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid
CID 1043578
Ethyl 4-(2-Cyanoethylsulfanyl)-6-Methoxy-Quinoline-3-Carboxylate
CID 57385803
Ethyl 4-(benzylamino)-6-methoxyquinoline-3-carboxylate
CID 696459
Methyl 3-amino-6-methoxythieno[2,3-b]quinoline-2-carboxylate
CID 865472
Ethyl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-methoxyquinoline-3-carboxylate
CID 1190602
Ethyl 6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate
CID 6603675
Ethyl 6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline-3-carboxylate
CID 6621007
Ethyl 6-ethoxy-4-[(2-methoxybenzyl)amino]quinoline-3-carboxylate
CID 12005319
Ethyl 6-ethoxy-4-[(3-pyridylmethyl)amino]quinoline-3-carboxylate, chloride
CID 12005626

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-4-(thiophen-2-ylmethylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6-methoxy-4-(thiophen-2-ylmethylamino)quinoline-3-carboxylate (CID 3615519) is ethyl 6-methoxy-4-(thiophen-2-ylmethylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-4-(thiophen-2-ylmethylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-methoxy-4-(thiophen-2-ylmethylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OC)cc2c1NCc1cccs1.
What is the InChIKey of ethyl 6-methoxy-4-(thiophen-2-ylmethylamino)quinoline-3-carboxylate?
The InChIKey is FAWYSEHQVGQGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-3-23-18(21)15-11-19-16-7-6-12(22-2)9-14(16)17(15)20-10-13-5-4-8-24-13/h4-9,11H,3,10H2,1-2H3,(H,19,20).
What are the key properties of ethyl 6-methoxy-4-(thiophen-2-ylmethylamino)quinoline-3-carboxylate?
ethyl 6-methoxy-4-(thiophen-2-ylmethylamino)quinoline-3-carboxylate has a molecular weight of 342.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-4-(thiophen-2-ylmethylamino)quinoline-3-carboxylate is sourced from PubChem (CID 3615519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).