N-[4-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide

C20H19N5O3S — CID 4902281

IUPACN-[4-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide
SMILESCCn1nc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c2cc3ccccc3nc21
InChIInChI=1S/C20H19N5O3S/c1-3-25-20-17(12-14-6-4-5-7-18(14)22-20)19(23-25)24-29(27,28)16-10-8-15(9-11-16)21-13(2)26/h4-12H,3H2,1-2H3,(H,21,26)(H,23,24)
InChIKeyNXZLRFPCVOCDCX-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.36
Rot. Bonds5

About N-[4-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide

N-[4-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 4902281) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[4-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID4902281
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC NameN-[4-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide
SMILESCCn1nc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c2cc3ccccc3nc21
InChIInChI=1S/C20H19N5O3S/c1-3-25-20-17(12-14-6-4-5-7-18(14)22-20)19(23-25)24-29(27,28)16-10-8-15(9-11-16)21-13(2)26/h4-12H,3H2,1-2H3,(H,21,26)(H,23,24)
InChIKeyNXZLRFPCVOCDCX-UHFFFAOYSA-N
XLogP3.36
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide (CID 4902281) is N-[4-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide is CCn1nc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c2cc3ccccc3nc21.
What is the InChIKey of N-[4-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is NXZLRFPCVOCDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-3-25-20-17(12-14-6-4-5-7-18(14)22-20)19(23-25)24-29(27,28)16-10-8-15(9-11-16)21-13(2)26/h4-12H,3H2,1-2H3,(H,21,26)(H,23,24).
What are the key properties of N-[4-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 409.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4902281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).