ethyl 4-carbamoyl-5-[2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoylamino]-2-methylfuran-3-carboxylate

C24H25N5O5S — CID 46304254

IUPACethyl 4-carbamoyl-5-[2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoylamino]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)C(C)Sc2nnc3cc(C)c4cccc(C)c4n23)c1C(N)=O
InChIInChI=1S/C24H25N5O5S/c1-6-33-23(32)17-13(4)34-22(18(17)20(25)30)26-21(31)14(5)35-24-28-27-16-10-12(3)15-9-7-8-11(2)19(15)29(16)24/h7-10,14H,6H2,1-5H3,(H2,25,30)(H,26,31)
InChIKeyYJAMBYBDPWRIBN-UHFFFAOYSA-N
MW495.56 g/mol
LogP3.80
Rot. Bonds7

About ethyl 4-carbamoyl-5-[2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoylamino]-2-methylfuran-3-carboxylate

ethyl 4-carbamoyl-5-[2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoylamino]-2-methylfuran-3-carboxylate (PubChem CID 46304254) has the molecular formula C24H25N5O5S and a molecular weight of 495.56 g/mol. Its IUPAC name is ethyl 4-carbamoyl-5-[2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoylamino]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-5-[2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoylamino]-2-methylfuran-3-carboxylate
PubChem CID46304254
Molecular FormulaC24H25N5O5S
Molecular Weight495.56 g/mol
Exact Mass495.16
IUPAC Nameethyl 4-carbamoyl-5-[2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoylamino]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)C(C)Sc2nnc3cc(C)c4cccc(C)c4n23)c1C(N)=O
InChIInChI=1S/C24H25N5O5S/c1-6-33-23(32)17-13(4)34-22(18(17)20(25)30)26-21(31)14(5)35-24-28-27-16-10-12(3)15-9-7-8-11(2)19(15)29(16)24/h7-10,14H,6H2,1-5H3,(H2,25,30)(H,26,31)
InChIKeyYJAMBYBDPWRIBN-UHFFFAOYSA-N
XLogP3.80
TPSA141.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 4-carbamoyl-5-[2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoylamino]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

ethyl 4-carbamoyl-2-methyl-5-[2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanoylamino]furan-3-carboxylate
CID 46303784
methyl (2S)-2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoate
CID 42270815
2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(4-fluorophenyl)propanamide
CID 16876585
ethyl 4-acetyl-5-methyl-2-[2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanoylamino]furan-3-carboxylate
CID 46303783
2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 21000107
ethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate
CID 46301610
2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 46304079
methyl 2-[2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]butanoylamino]-4,5-dimethylthiophene-3-carboxylate
CID 46304225
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
CID 46304476
2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 46304077
2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 46304060
diethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-5-methylfuran-3,4-dicarboxylate
CID 46302093

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-5-[2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoylamino]-2-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-5-[2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoylamino]-2-methylfuran-3-carboxylate (CID 46304254) is ethyl 4-carbamoyl-5-[2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoylamino]-2-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-5-[2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoylamino]-2-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-5-[2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoylamino]-2-methylfuran-3-carboxylate is CCOC(=O)c1c(C)oc(NC(=O)C(C)Sc2nnc3cc(C)c4cccc(C)c4n23)c1C(N)=O.
What is the InChIKey of ethyl 4-carbamoyl-5-[2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoylamino]-2-methylfuran-3-carboxylate?
The InChIKey is YJAMBYBDPWRIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5S/c1-6-33-23(32)17-13(4)34-22(18(17)20(25)30)26-21(31)14(5)35-24-28-27-16-10-12(3)15-9-7-8-11(2)19(15)29(16)24/h7-10,14H,6H2,1-5H3,(H2,25,30)(H,26,31).
What are the key properties of ethyl 4-carbamoyl-5-[2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoylamino]-2-methylfuran-3-carboxylate?
ethyl 4-carbamoyl-5-[2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoylamino]-2-methylfuran-3-carboxylate has a molecular weight of 495.56 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-5-[2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoylamino]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 46304254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).