tert-butyl 4-[furo[2,3-b]quinoline-4-carbonyl-(4-methoxyphenyl)sulfamoyl]butanoate

C27H28N2O7S — CID 68637828

IUPACtert-butyl 4-[furo[2,3-b]quinoline-4-carbonyl-(4-methoxyphenyl)sulfamoyl]butanoate
SMILESCOc1ccc(N(C(=O)c2c3ccccc3nc3occc23)S(=O)(=O)CCCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C27H28N2O7S/c1-27(2,3)36-23(30)10-7-17-37(32,33)29(18-11-13-19(34-4)14-12-18)26(31)24-20-8-5-6-9-22(20)28-25-21(24)15-16-35-25/h5-6,8-9,11-16H,7,10,17H2,1-4H3
InChIKeyYFVWRQWHAJYGEO-UHFFFAOYSA-N
MW524.60 g/mol
LogP5.09
Rot. Bonds8

About tert-butyl 4-[furo[2,3-b]quinoline-4-carbonyl-(4-methoxyphenyl)sulfamoyl]butanoate

tert-butyl 4-[furo[2,3-b]quinoline-4-carbonyl-(4-methoxyphenyl)sulfamoyl]butanoate (PubChem CID 68637828) has the molecular formula C27H28N2O7S and a molecular weight of 524.60 g/mol. Its IUPAC name is tert-butyl 4-[furo[2,3-b]quinoline-4-carbonyl-(4-methoxyphenyl)sulfamoyl]butanoate.

Molecular Properties

Compound Nametert-butyl 4-[furo[2,3-b]quinoline-4-carbonyl-(4-methoxyphenyl)sulfamoyl]butanoate
PubChem CID68637828
Molecular FormulaC27H28N2O7S
Molecular Weight524.60 g/mol
Exact Mass524.16
IUPAC Nametert-butyl 4-[furo[2,3-b]quinoline-4-carbonyl-(4-methoxyphenyl)sulfamoyl]butanoate
SMILESCOc1ccc(N(C(=O)c2c3ccccc3nc3occc23)S(=O)(=O)CCCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C27H28N2O7S/c1-27(2,3)36-23(30)10-7-17-37(32,33)29(18-11-13-19(34-4)14-12-18)26(31)24-20-8-5-6-9-22(20)28-25-21(24)15-16-35-25/h5-6,8-9,11-16H,7,10,17H2,1-4H3
InChIKeyYFVWRQWHAJYGEO-UHFFFAOYSA-N
XLogP5.09
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.60
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[furo[2,3-b]quinoline-4-carbonyl-(4-methoxyphenyl)sulfamoyl]butanoate?
The IUPAC name of tert-butyl 4-[furo[2,3-b]quinoline-4-carbonyl-(4-methoxyphenyl)sulfamoyl]butanoate (CID 68637828) is tert-butyl 4-[furo[2,3-b]quinoline-4-carbonyl-(4-methoxyphenyl)sulfamoyl]butanoate.
What is the SMILES notation for tert-butyl 4-[furo[2,3-b]quinoline-4-carbonyl-(4-methoxyphenyl)sulfamoyl]butanoate?
The canonical SMILES for tert-butyl 4-[furo[2,3-b]quinoline-4-carbonyl-(4-methoxyphenyl)sulfamoyl]butanoate is COc1ccc(N(C(=O)c2c3ccccc3nc3occc23)S(=O)(=O)CCCC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 4-[furo[2,3-b]quinoline-4-carbonyl-(4-methoxyphenyl)sulfamoyl]butanoate?
The InChIKey is YFVWRQWHAJYGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O7S/c1-27(2,3)36-23(30)10-7-17-37(32,33)29(18-11-13-19(34-4)14-12-18)26(31)24-20-8-5-6-9-22(20)28-25-21(24)15-16-35-25/h5-6,8-9,11-16H,7,10,17H2,1-4H3.
What are the key properties of tert-butyl 4-[furo[2,3-b]quinoline-4-carbonyl-(4-methoxyphenyl)sulfamoyl]butanoate?
tert-butyl 4-[furo[2,3-b]quinoline-4-carbonyl-(4-methoxyphenyl)sulfamoyl]butanoate has a molecular weight of 524.60 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[furo[2,3-b]quinoline-4-carbonyl-(4-methoxyphenyl)sulfamoyl]butanoate is sourced from PubChem (CID 68637828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).