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

C24H27N5O4 — CID 135462066

IUPAC3-amino-2-(5-hydroxy-2-methylphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1ccc(O)cc1-n1nc2c(c1N)c(=O)[nH]c1cc(OCCCN3CCOCC3)ccc12
InChIInChI=1S/C24H27N5O4/c1-15-3-4-16(30)13-20(15)29-23(25)21-22(27-29)18-6-5-17(14-19(18)26-24(21)31)33-10-2-7-28-8-11-32-12-9-28/h3-6,13-14,30H,2,7-12,25H2,1H3,(H,26,31)
InChIKeyGBZSUHOHLSSBAM-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.56
Rot. Bonds6

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

3-amino-2-(5-hydroxy-2-methylphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135462066) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 3-amino-2-(5-hydroxy-2-methylphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(5-hydroxy-2-methylphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135462066
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name3-amino-2-(5-hydroxy-2-methylphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1ccc(O)cc1-n1nc2c(c1N)c(=O)[nH]c1cc(OCCCN3CCOCC3)ccc12
InChIInChI=1S/C24H27N5O4/c1-15-3-4-16(30)13-20(15)29-23(25)21-22(27-29)18-6-5-17(14-19(18)26-24(21)31)33-10-2-7-28-8-11-32-12-9-28/h3-6,13-14,30H,2,7-12,25H2,1H3,(H,26,31)
InChIKeyGBZSUHOHLSSBAM-UHFFFAOYSA-N
XLogP2.56
TPSA118.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-hydroxy-2-methylphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(5-hydroxy-2-methylphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135462066) is 3-amino-2-(5-hydroxy-2-methylphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(5-hydroxy-2-methylphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(5-hydroxy-2-methylphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one is Cc1ccc(O)cc1-n1nc2c(c1N)c(=O)[nH]c1cc(OCCCN3CCOCC3)ccc12.
What is the InChIKey of 3-amino-2-(5-hydroxy-2-methylphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is GBZSUHOHLSSBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-15-3-4-16(30)13-20(15)29-23(25)21-22(27-29)18-6-5-17(14-19(18)26-24(21)31)33-10-2-7-28-8-11-32-12-9-28/h3-6,13-14,30H,2,7-12,25H2,1H3,(H,26,31).
What are the key properties of 3-amino-2-(5-hydroxy-2-methylphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(5-hydroxy-2-methylphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 449.51 g/mol, XLogP of 2.56, 6 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-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135462066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).