ethyl 5-[[3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzoyl]amino]thiophene-2-carboxylate

C24H22N2O4S — CID 175506679

IUPACethyl 5-[[3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzoyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)N3CCCc4ccccc43)c2)s1
InChIInChI=1S/C24H22N2O4S/c1-2-30-24(29)20-12-13-21(31-20)25-22(27)17-8-5-9-18(15-17)23(28)26-14-6-10-16-7-3-4-11-19(16)26/h3-5,7-9,11-13,15H,2,6,10,14H2,1H3,(H,25,27)
InChIKeyMENUJESSXQNXCA-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.77
Rot. Bonds5

About ethyl 5-[[3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzoyl]amino]thiophene-2-carboxylate

ethyl 5-[[3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzoyl]amino]thiophene-2-carboxylate (PubChem CID 175506679) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is ethyl 5-[[3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzoyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzoyl]amino]thiophene-2-carboxylate
PubChem CID175506679
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Nameethyl 5-[[3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzoyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)N3CCCc4ccccc43)c2)s1
InChIInChI=1S/C24H22N2O4S/c1-2-30-24(29)20-12-13-21(31-20)25-22(27)17-8-5-9-18(15-17)23(28)26-14-6-10-16-7-3-4-11-19(16)26/h3-5,7-9,11-13,15H,2,6,10,14H2,1H3,(H,25,27)
InChIKeyMENUJESSXQNXCA-UHFFFAOYSA-N
XLogP4.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzoyl]amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 5-[[3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzoyl]amino]thiophene-2-carboxylate (CID 175506679) is ethyl 5-[[3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzoyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[[3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzoyl]amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[[3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzoyl]amino]thiophene-2-carboxylate is CCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)N3CCCc4ccccc43)c2)s1.
What is the InChIKey of ethyl 5-[[3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzoyl]amino]thiophene-2-carboxylate?
The InChIKey is MENUJESSXQNXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-2-30-24(29)20-12-13-21(31-20)25-22(27)17-8-5-9-18(15-17)23(28)26-14-6-10-16-7-3-4-11-19(16)26/h3-5,7-9,11-13,15H,2,6,10,14H2,1H3,(H,25,27).
What are the key properties of ethyl 5-[[3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzoyl]amino]thiophene-2-carboxylate?
ethyl 5-[[3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzoyl]amino]thiophene-2-carboxylate has a molecular weight of 434.52 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzoyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 175506679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).