ethyl 3-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate

C22H18N2O4S — CID 15990518

IUPACethyl 3-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc3cc4cc(OC)ccc4nc3s2)c1
InChIInChI=1S/C22H18N2O4S/c1-3-28-22(26)13-5-4-6-16(10-13)23-20(25)19-12-15-9-14-11-17(27-2)7-8-18(14)24-21(15)29-19/h4-12H,3H2,1-2H3,(H,23,25)
InChIKeyXZNOHTIDELEYEG-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.89
Rot. Bonds5

About ethyl 3-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate

ethyl 3-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate (PubChem CID 15990518) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is ethyl 3-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate
PubChem CID15990518
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC Nameethyl 3-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc3cc4cc(OC)ccc4nc3s2)c1
InChIInChI=1S/C22H18N2O4S/c1-3-28-22(26)13-5-4-6-16(10-13)23-20(25)19-12-15-9-14-11-17(27-2)7-8-18(14)24-21(15)29-19/h4-12H,3H2,1-2H3,(H,23,25)
InChIKeyXZNOHTIDELEYEG-UHFFFAOYSA-N
XLogP4.89
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate with MolForge

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Related Compounds

3-Amino-6-ethoxythiopheno[2,3-b]quinolin-2-yl morpholin-4-yl ketone
CID 1164074
2-(3-Methoxyphenyl)-2-oxoethyl 2-(2-thienyl)-4-quinolinecarboxylate
CID 1218256
(3-Amino-6-ethoxy-thieno[2,3-b]quinolin-2-yl)-(4-methyl-piperazin-1-yl)-methanone
CID 655631
Methyl 3-amino-6-methoxythieno[2,3-b]quinoline-2-carboxylate
CID 865472
3-amino-N,4-bis(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide
CID 2241221
6-Methoxy-2-[(4-methylpiperazin-1-yl)carbonyl]thieno[2,3-b]quinoline
CID 3240696
2-[(4-Ethylpiperazin-1-yl)carbonyl]-6-methoxythieno[2,3-b]quinoline
CID 3242523
N-butan-2-yl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 5046601
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 12005221
N-{3-[ethyl(3-methylphenyl)amino]propyl}-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15990466
N-{3-[ethyl(phenyl)amino]propyl}-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15990468
N-[2-(3,4-diethoxyphenyl)ethyl]-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15990470

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate?
The IUPAC name of ethyl 3-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate (CID 15990518) is ethyl 3-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2cc3cc4cc(OC)ccc4nc3s2)c1.
What is the InChIKey of ethyl 3-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate?
The InChIKey is XZNOHTIDELEYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S/c1-3-28-22(26)13-5-4-6-16(10-13)23-20(25)19-12-15-9-14-11-17(27-2)7-8-18(14)24-21(15)29-19/h4-12H,3H2,1-2H3,(H,23,25).
What are the key properties of ethyl 3-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate?
ethyl 3-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate has a molecular weight of 406.46 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate is sourced from PubChem (CID 15990518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).