3-amino-2-(5-hydroxy-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one

C23H25N5O4 — CID 135537698

IUPAC3-amino-2-(5-hydroxy-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1ccc(O)cc1-n1nc2c(c1N)c(=O)[nH]c1cc(OCCN3CCOCC3)ccc12
InChIInChI=1S/C23H25N5O4/c1-14-2-3-15(29)12-19(14)28-22(24)20-21(26-28)17-5-4-16(13-18(17)25-23(20)30)32-11-8-27-6-9-31-10-7-27/h2-5,12-13,29H,6-11,24H2,1H3,(H,25,30)
InChIKeyIJSBLKDMQJYVSF-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.17
Rot. Bonds5

About 3-amino-2-(5-hydroxy-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one

3-amino-2-(5-hydroxy-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135537698) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-amino-2-(5-hydroxy-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(5-hydroxy-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135537698
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name3-amino-2-(5-hydroxy-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1ccc(O)cc1-n1nc2c(c1N)c(=O)[nH]c1cc(OCCN3CCOCC3)ccc12
InChIInChI=1S/C23H25N5O4/c1-14-2-3-15(29)12-19(14)28-22(24)20-21(26-28)17-5-4-16(13-18(17)25-23(20)30)32-11-8-27-6-9-31-10-7-27/h2-5,12-13,29H,6-11,24H2,1H3,(H,25,30)
InChIKeyIJSBLKDMQJYVSF-UHFFFAOYSA-N
XLogP2.17
TPSA118.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-hydroxy-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(5-hydroxy-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135537698) is 3-amino-2-(5-hydroxy-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(5-hydroxy-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(5-hydroxy-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one is Cc1ccc(O)cc1-n1nc2c(c1N)c(=O)[nH]c1cc(OCCN3CCOCC3)ccc12.
What is the InChIKey of 3-amino-2-(5-hydroxy-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is IJSBLKDMQJYVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-14-2-3-15(29)12-19(14)28-22(24)20-21(26-28)17-5-4-16(13-18(17)25-23(20)30)32-11-8-27-6-9-31-10-7-27/h2-5,12-13,29H,6-11,24H2,1H3,(H,25,30).
What are the key properties of 3-amino-2-(5-hydroxy-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(5-hydroxy-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 435.48 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-hydroxy-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135537698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).