2-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one;hydrochloride

C24H27ClN4O4 — CID 135599869

IUPAC2-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one;hydrochloride
SMILESCOc1cccc(-n2cc3c(=O)[nH]c4cc(OCCCN5CCOCC5)ccc4c3n2)c1.Cl
InChIInChI=1S/C24H26N4O4.ClH/c1-30-18-5-2-4-17(14-18)28-16-21-23(26-28)20-7-6-19(15-22(20)25-24(21)29)32-11-3-8-27-9-12-31-13-10-27;/h2,4-7,14-16H,3,8-13H2,1H3,(H,25,29);1H
InChIKeyDYBBUBZCAUNFBS-UHFFFAOYSA-N
MW470.96 g/mol
LogP3.40
Rot. Bonds7

About 2-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one;hydrochloride

2-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one;hydrochloride (PubChem CID 135599869) has the molecular formula C24H27ClN4O4 and a molecular weight of 470.96 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one;hydrochloride
PubChem CID135599869
Molecular FormulaC24H27ClN4O4
Molecular Weight470.96 g/mol
Exact Mass470.17
IUPAC Name2-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one;hydrochloride
SMILESCOc1cccc(-n2cc3c(=O)[nH]c4cc(OCCCN5CCOCC5)ccc4c3n2)c1.Cl
InChIInChI=1S/C24H26N4O4.ClH/c1-30-18-5-2-4-17(14-18)28-16-21-23(26-28)20-7-6-19(15-22(20)25-24(21)29)32-11-3-8-27-9-12-31-13-10-27;/h2,4-7,14-16H,3,8-13H2,1H3,(H,25,29);1H
InChIKeyDYBBUBZCAUNFBS-UHFFFAOYSA-N
XLogP3.40
TPSA81.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one;hydrochloride?
The IUPAC name of 2-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one;hydrochloride (CID 135599869) is 2-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one;hydrochloride.
What is the SMILES notation for 2-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one;hydrochloride?
The canonical SMILES for 2-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one;hydrochloride is COc1cccc(-n2cc3c(=O)[nH]c4cc(OCCCN5CCOCC5)ccc4c3n2)c1.Cl.
What is the InChIKey of 2-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one;hydrochloride?
The InChIKey is DYBBUBZCAUNFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4.ClH/c1-30-18-5-2-4-17(14-18)28-16-21-23(26-28)20-7-6-19(15-22(20)25-24(21)29)32-11-3-8-27-9-12-31-13-10-27;/h2,4-7,14-16H,3,8-13H2,1H3,(H,25,29);1H.
What are the key properties of 2-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one;hydrochloride?
2-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one;hydrochloride has a molecular weight of 470.96 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 135599869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).