5-ethyl-7-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one

C22H22N4O4S — CID 71539755

IUPAC5-ethyl-7-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one
SMILESCCn1c(=O)c2cn[nH]c2c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc21
InChIInChI=1S/C22H22N4O4S/c1-2-26-20-13-16(5-8-18(20)21-19(22(26)27)14-23-24-21)15-3-6-17(7-4-15)31(28,29)25-9-11-30-12-10-25/h3-8,13-14H,2,9-12H2,1H3,(H,23,24)
InChIKeyQZQRTZUWMWXSHN-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.59
Rot. Bonds4

About 5-ethyl-7-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one

5-ethyl-7-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 71539755) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is 5-ethyl-7-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-ethyl-7-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID71539755
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC Name5-ethyl-7-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one
SMILESCCn1c(=O)c2cn[nH]c2c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc21
InChIInChI=1S/C22H22N4O4S/c1-2-26-20-13-16(5-8-18(20)21-19(22(26)27)14-23-24-21)15-3-6-17(7-4-15)31(28,29)25-9-11-30-12-10-25/h3-8,13-14H,2,9-12H2,1H3,(H,23,24)
InChIKeyQZQRTZUWMWXSHN-UHFFFAOYSA-N
XLogP2.59
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 5-ethyl-7-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one (CID 71539755) is 5-ethyl-7-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-ethyl-7-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-ethyl-7-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one is CCn1c(=O)c2cn[nH]c2c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc21.
What is the InChIKey of 5-ethyl-7-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is QZQRTZUWMWXSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S/c1-2-26-20-13-16(5-8-18(20)21-19(22(26)27)14-23-24-21)15-3-6-17(7-4-15)31(28,29)25-9-11-30-12-10-25/h3-8,13-14H,2,9-12H2,1H3,(H,23,24).
What are the key properties of 5-ethyl-7-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
5-ethyl-7-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 438.51 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 71539755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).