3-amino-2-(2-chloro-5-methoxyphenyl)-8-methoxy-5-(3-morpholin-4-ylpropoxy)pyrazolo[4,3-c]quinolin-4-one

C25H28ClN5O5 — CID 23154120

IUPAC3-amino-2-(2-chloro-5-methoxyphenyl)-8-methoxy-5-(3-morpholin-4-ylpropoxy)pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cl)c(-n2nc3c(c2N)c(=O)n(OCCCN2CCOCC2)c2ccc(OC)cc32)c1
InChIInChI=1S/C25H28ClN5O5/c1-33-16-5-7-20-18(14-16)23-22(24(27)30(28-23)21-15-17(34-2)4-6-19(21)26)25(32)31(20)36-11-3-8-29-9-12-35-13-10-29/h4-7,14-15H,3,8-13,27H2,1-2H3
InChIKeyWIHXPZXOPYVPLC-UHFFFAOYSA-N
MW513.98 g/mol
LogP2.74
Rot. Bonds8

About 3-amino-2-(2-chloro-5-methoxyphenyl)-8-methoxy-5-(3-morpholin-4-ylpropoxy)pyrazolo[4,3-c]quinolin-4-one

3-amino-2-(2-chloro-5-methoxyphenyl)-8-methoxy-5-(3-morpholin-4-ylpropoxy)pyrazolo[4,3-c]quinolin-4-one (PubChem CID 23154120) has the molecular formula C25H28ClN5O5 and a molecular weight of 513.98 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-5-methoxyphenyl)-8-methoxy-5-(3-morpholin-4-ylpropoxy)pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(2-chloro-5-methoxyphenyl)-8-methoxy-5-(3-morpholin-4-ylpropoxy)pyrazolo[4,3-c]quinolin-4-one
PubChem CID23154120
Molecular FormulaC25H28ClN5O5
Molecular Weight513.98 g/mol
Exact Mass513.18
IUPAC Name3-amino-2-(2-chloro-5-methoxyphenyl)-8-methoxy-5-(3-morpholin-4-ylpropoxy)pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cl)c(-n2nc3c(c2N)c(=O)n(OCCCN2CCOCC2)c2ccc(OC)cc32)c1
InChIInChI=1S/C25H28ClN5O5/c1-33-16-5-7-20-18(14-16)23-22(24(27)30(28-23)21-15-17(34-2)4-6-19(21)26)25(32)31(20)36-11-3-8-29-9-12-35-13-10-29/h4-7,14-15H,3,8-13,27H2,1-2H3
InChIKeyWIHXPZXOPYVPLC-UHFFFAOYSA-N
XLogP2.74
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.98
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-amino-2-(2-chloro-5-methoxyphenyl)-8-methoxy-5-(3-morpholin-4-ylpropoxy)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

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-5-methoxyphenyl)-8-methoxy-5-(3-morpholin-4-ylpropoxy)pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(2-chloro-5-methoxyphenyl)-8-methoxy-5-(3-morpholin-4-ylpropoxy)pyrazolo[4,3-c]quinolin-4-one (CID 23154120) is 3-amino-2-(2-chloro-5-methoxyphenyl)-8-methoxy-5-(3-morpholin-4-ylpropoxy)pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(2-chloro-5-methoxyphenyl)-8-methoxy-5-(3-morpholin-4-ylpropoxy)pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(2-chloro-5-methoxyphenyl)-8-methoxy-5-(3-morpholin-4-ylpropoxy)pyrazolo[4,3-c]quinolin-4-one is COc1ccc(Cl)c(-n2nc3c(c2N)c(=O)n(OCCCN2CCOCC2)c2ccc(OC)cc32)c1.
What is the InChIKey of 3-amino-2-(2-chloro-5-methoxyphenyl)-8-methoxy-5-(3-morpholin-4-ylpropoxy)pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is WIHXPZXOPYVPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O5/c1-33-16-5-7-20-18(14-16)23-22(24(27)30(28-23)21-15-17(34-2)4-6-19(21)26)25(32)31(20)36-11-3-8-29-9-12-35-13-10-29/h4-7,14-15H,3,8-13,27H2,1-2H3.
What are the key properties of 3-amino-2-(2-chloro-5-methoxyphenyl)-8-methoxy-5-(3-morpholin-4-ylpropoxy)pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(2-chloro-5-methoxyphenyl)-8-methoxy-5-(3-morpholin-4-ylpropoxy)pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 513.98 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chloro-5-methoxyphenyl)-8-methoxy-5-(3-morpholin-4-ylpropoxy)pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 23154120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).