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

C23H24ClN5O4 — CID 135497139

IUPAC3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESNc1c2c(=O)[nH]c3cc(OCCCN4CCOCC4)ccc3c2nn1-c1cc(O)ccc1Cl
InChIInChI=1S/C23H24ClN5O4/c24-17-5-2-14(30)12-19(17)29-22(25)20-21(27-29)16-4-3-15(13-18(16)26-23(20)31)33-9-1-6-28-7-10-32-11-8-28/h2-5,12-13,30H,1,6-11,25H2,(H,26,31)
InChIKeyAKEYKEPZDYXZOH-UHFFFAOYSA-N
MW469.93 g/mol
LogP2.91
Rot. Bonds6

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

3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135497139) has the molecular formula C23H24ClN5O4 and a molecular weight of 469.93 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135497139
Molecular FormulaC23H24ClN5O4
Molecular Weight469.93 g/mol
Exact Mass469.15
IUPAC Name3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESNc1c2c(=O)[nH]c3cc(OCCCN4CCOCC4)ccc3c2nn1-c1cc(O)ccc1Cl
InChIInChI=1S/C23H24ClN5O4/c24-17-5-2-14(30)12-19(17)29-22(25)20-21(27-29)16-4-3-15(13-18(16)26-23(20)31)33-9-1-6-28-7-10-32-11-8-28/h2-5,12-13,30H,1,6-11,25H2,(H,26,31)
InChIKeyAKEYKEPZDYXZOH-UHFFFAOYSA-N
XLogP2.91
TPSA118.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.93
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-2-(5-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one
CID 23154015
3-amino-2-(5-fluoro-2-methylphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599889
3-Amino-2-(5-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one
CID 23153837
3-Amino-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
CID 23153860
2-(2-Chloro-5-methoxyphenyl)-3-(dimethylamino)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
CID 23153863
3-Amino-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one
CID 23153879
3-Amino-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-2-(2-propan-2-ylphenyl)pyrazolo[4,3-c]quinolin-4-one
CID 23153889
3-Amino-2-(2-chloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
CID 23153899
3-Amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
CID 23153925
3-Amino-5-[(4-methoxyphenyl)methyl]-2-(4-phenoxyphenyl)-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one
CID 23153956
3-Amino-2-(2,4-dichloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
CID 23153958
3-Amino-2-(2-chloro-5-methoxyphenyl)-8-methoxy-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one
CID 23153966

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135497139) is 3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one is Nc1c2c(=O)[nH]c3cc(OCCCN4CCOCC4)ccc3c2nn1-c1cc(O)ccc1Cl.
What is the InChIKey of 3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is AKEYKEPZDYXZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O4/c24-17-5-2-14(30)12-19(17)29-22(25)20-21(27-29)16-4-3-15(13-18(16)26-23(20)31)33-9-1-6-28-7-10-32-11-8-28/h2-5,12-13,30H,1,6-11,25H2,(H,26,31).
What are the key properties of 3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 469.93 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135497139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).