ethyl 2-[2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyloxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

C24H25N3O5S — CID 3149827

IUPACethyl 2-[2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyloxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C(CC)OC(=O)c2c3c(nc4ccccc24)CCC3)nc1C
InChIInChI=1S/C24H25N3O5S/c1-4-18(21(28)27-24-25-13(3)20(33-24)23(30)31-5-2)32-22(29)19-14-9-6-7-11-16(14)26-17-12-8-10-15(17)19/h6-7,9,11,18H,4-5,8,10,12H2,1-3H3,(H,25,27,28)
InChIKeyHYCMETSJNSALGS-UHFFFAOYSA-N
MW467.55 g/mol
LogP4.24
Rot. Bonds7

About ethyl 2-[2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyloxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyloxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 3149827) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is ethyl 2-[2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyloxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyloxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID3149827
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Nameethyl 2-[2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyloxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C(CC)OC(=O)c2c3c(nc4ccccc24)CCC3)nc1C
InChIInChI=1S/C24H25N3O5S/c1-4-18(21(28)27-24-25-13(3)20(33-24)23(30)31-5-2)32-22(29)19-14-9-6-7-11-16(14)26-17-12-8-10-15(17)19/h6-7,9,11,18H,4-5,8,10,12H2,1-3H3,(H,25,27,28)
InChIKeyHYCMETSJNSALGS-UHFFFAOYSA-N
XLogP4.24
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyloxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyloxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate (CID 3149827) is ethyl 2-[2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyloxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyloxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyloxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)C(CC)OC(=O)c2c3c(nc4ccccc24)CCC3)nc1C.
What is the InChIKey of ethyl 2-[2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyloxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is HYCMETSJNSALGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-4-18(21(28)27-24-25-13(3)20(33-24)23(30)31-5-2)32-22(29)19-14-9-6-7-11-16(14)26-17-12-8-10-15(17)19/h6-7,9,11,18H,4-5,8,10,12H2,1-3H3,(H,25,27,28).
What are the key properties of ethyl 2-[2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyloxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyloxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 467.55 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyloxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 3149827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).