5-ethyl-7-(3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one

C22H22N4O2 — CID 71539753

IUPAC5-ethyl-7-(3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one
SMILESCCn1c(=O)c2cn[nH]c2c2ccc(-c3cccc(N4CCOCC4)c3)cc21
InChIInChI=1S/C22H22N4O2/c1-2-26-20-13-16(6-7-18(20)21-19(22(26)27)14-23-24-21)15-4-3-5-17(12-15)25-8-10-28-11-9-25/h3-7,12-14H,2,8-11H2,1H3,(H,23,24)
InChIKeyLDJCNHAJXUXURM-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.40
Rot. Bonds3

About 5-ethyl-7-(3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one

5-ethyl-7-(3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 71539753) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-ethyl-7-(3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-ethyl-7-(3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID71539753
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name5-ethyl-7-(3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one
SMILESCCn1c(=O)c2cn[nH]c2c2ccc(-c3cccc(N4CCOCC4)c3)cc21
InChIInChI=1S/C22H22N4O2/c1-2-26-20-13-16(6-7-18(20)21-19(22(26)27)14-23-24-21)15-4-3-5-17(12-15)25-8-10-28-11-9-25/h3-7,12-14H,2,8-11H2,1H3,(H,23,24)
InChIKeyLDJCNHAJXUXURM-UHFFFAOYSA-N
XLogP3.40
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-(3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 5-ethyl-7-(3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one (CID 71539753) is 5-ethyl-7-(3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-ethyl-7-(3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-ethyl-7-(3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one is CCn1c(=O)c2cn[nH]c2c2ccc(-c3cccc(N4CCOCC4)c3)cc21.
What is the InChIKey of 5-ethyl-7-(3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is LDJCNHAJXUXURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-2-26-20-13-16(6-7-18(20)21-19(22(26)27)14-23-24-21)15-4-3-5-17(12-15)25-8-10-28-11-9-25/h3-7,12-14H,2,8-11H2,1H3,(H,23,24).
What are the key properties of 5-ethyl-7-(3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
5-ethyl-7-(3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 374.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-(3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 71539753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).