methyl 4-[cyclopentyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate

C24H24N2O7S — CID 1165573

IUPACmethyl 4-[cyclopentyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCC2)cc1
InChIInChI=1S/C24H24N2O7S/c1-31-24(28)15-6-8-19(9-7-15)34(29,30)26(18-4-2-3-5-18)13-17-10-16-11-21-22(33-14-32-21)12-20(16)25-23(17)27/h6-12,18H,2-5,13-14H2,1H3,(H,25,27)
InChIKeyLTYIFZAUOSBDKC-UHFFFAOYSA-N
MW484.53 g/mol
LogP3.18
Rot. Bonds6

About methyl 4-[cyclopentyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate

methyl 4-[cyclopentyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate (PubChem CID 1165573) has the molecular formula C24H24N2O7S and a molecular weight of 484.53 g/mol. Its IUPAC name is methyl 4-[cyclopentyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[cyclopentyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate
PubChem CID1165573
Molecular FormulaC24H24N2O7S
Molecular Weight484.53 g/mol
Exact Mass484.13
IUPAC Namemethyl 4-[cyclopentyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCC2)cc1
InChIInChI=1S/C24H24N2O7S/c1-31-24(28)15-6-8-19(9-7-15)34(29,30)26(18-4-2-3-5-18)13-17-10-16-11-21-22(33-14-32-21)12-20(16)25-23(17)27/h6-12,18H,2-5,13-14H2,1H3,(H,25,27)
InChIKeyLTYIFZAUOSBDKC-UHFFFAOYSA-N
XLogP3.18
TPSA115.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[cyclopentyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate with MolForge

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Related Compounds

3-acetyl-N-cyclopentyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]benzenesulfonamide
CID 3184260
methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzoate
CID 1162423
N-cyclopentyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1165451
4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 3366760
4-acetyl-N-[(4-methoxyphenyl)methyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]benzenesulfonamide
CID 3184252
4-chloro-N-cyclohexyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1169194
methyl 2-[[cyclohexyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]carbamothioyl]amino]benzoate
CID 3175707
methyl 4-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2S)-oxolan-2-yl]methyl]sulfamoyl]benzoate
CID 1162173
ethyl 4-[furan-2-ylmethyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate
CID 3184218
N-cyclopentyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]pyridine-4-carboxamide
CID 23913655
1-cyclohexyl-3-(2-methoxyethyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]thiourea
CID 3175702
ethyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2S)-oxolan-2-yl]methyl]sulfamoyl]benzoate
CID 1162428

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclopentyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[cyclopentyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate (CID 1165573) is methyl 4-[cyclopentyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[cyclopentyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[cyclopentyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCC2)cc1.
What is the InChIKey of methyl 4-[cyclopentyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate?
The InChIKey is LTYIFZAUOSBDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O7S/c1-31-24(28)15-6-8-19(9-7-15)34(29,30)26(18-4-2-3-5-18)13-17-10-16-11-21-22(33-14-32-21)12-20(16)25-23(17)27/h6-12,18H,2-5,13-14H2,1H3,(H,25,27).
What are the key properties of methyl 4-[cyclopentyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate?
methyl 4-[cyclopentyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate has a molecular weight of 484.53 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclopentyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate is sourced from PubChem (CID 1165573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).