N-[4-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide

C22H23N5O3S — CID 4904116

IUPACN-[4-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide
SMILESCCCn1nc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c2cc3ccc(C)cc3nc21
InChIInChI=1S/C22H23N5O3S/c1-4-11-27-22-19(13-16-6-5-14(2)12-20(16)24-22)21(25-27)26-31(29,30)18-9-7-17(8-10-18)23-15(3)28/h5-10,12-13H,4,11H2,1-3H3,(H,23,28)(H,25,26)
InChIKeyORVMPDDUSHMNGJ-UHFFFAOYSA-N
MW437.53 g/mol
LogP4.06
Rot. Bonds6

About N-[4-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide

N-[4-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 4904116) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is N-[4-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID4904116
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC NameN-[4-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide
SMILESCCCn1nc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c2cc3ccc(C)cc3nc21
InChIInChI=1S/C22H23N5O3S/c1-4-11-27-22-19(13-16-6-5-14(2)12-20(16)24-22)21(25-27)26-31(29,30)18-9-7-17(8-10-18)23-15(3)28/h5-10,12-13H,4,11H2,1-3H3,(H,23,28)(H,25,26)
InChIKeyORVMPDDUSHMNGJ-UHFFFAOYSA-N
XLogP4.06
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide
CID 4893874
N-(1-butyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)-4-fluorobenzenesulfonamide
CID 4973782
N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1241528
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
2-methoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]acetamide
CID 942337
N-[4-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 2231689
N-[4-[(2-ethoxy-4,6-dimethylpyrimidin-5-yl)sulfamoyl]phenyl]acetamide
CID 122355933
N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide
CID 22209298
N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
CID 7693406
N-[4-[(3-fluoro-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 97030412
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986001

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide (CID 4904116) is N-[4-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide is CCCn1nc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c2cc3ccc(C)cc3nc21.
What is the InChIKey of N-[4-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is ORVMPDDUSHMNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-4-11-27-22-19(13-16-6-5-14(2)12-20(16)24-22)21(25-27)26-31(29,30)18-9-7-17(8-10-18)23-15(3)28/h5-10,12-13H,4,11H2,1-3H3,(H,23,28)(H,25,26).
What are the key properties of N-[4-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 437.53 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4904116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).