3-amino-2-(2-chloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one

C25H21ClN4O3 — CID 23153899

IUPAC3-amino-2-(2-chloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4cc(OC)ccc4Cl)nc3c3ccccc32)cc1
InChIInChI=1S/C25H21ClN4O3/c1-32-16-9-7-15(8-10-16)14-29-20-6-4-3-5-18(20)23-22(25(29)31)24(27)30(28-23)21-13-17(33-2)11-12-19(21)26/h3-13H,14,27H2,1-2H3
InChIKeyRXVUMPHMUXDMNT-UHFFFAOYSA-N
MW460.92 g/mol
LogP4.64
Rot. Bonds5

About 3-amino-2-(2-chloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one

3-amino-2-(2-chloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (PubChem CID 23153899) has the molecular formula C25H21ClN4O3 and a molecular weight of 460.92 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(2-chloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
PubChem CID23153899
Molecular FormulaC25H21ClN4O3
Molecular Weight460.92 g/mol
Exact Mass460.13
IUPAC Name3-amino-2-(2-chloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4cc(OC)ccc4Cl)nc3c3ccccc32)cc1
InChIInChI=1S/C25H21ClN4O3/c1-32-16-9-7-15(8-10-16)14-29-20-6-4-3-5-18(20)23-22(25(29)31)24(27)30(28-23)21-13-17(33-2)11-12-19(21)26/h3-13H,14,27H2,1-2H3
InChIKeyRXVUMPHMUXDMNT-UHFFFAOYSA-N
XLogP4.64
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.92
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(2-chloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (CID 23153899) is 3-amino-2-(2-chloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(2-chloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(2-chloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is COc1ccc(Cn2c(=O)c3c(N)n(-c4cc(OC)ccc4Cl)nc3c3ccccc32)cc1.
What is the InChIKey of 3-amino-2-(2-chloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is RXVUMPHMUXDMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O3/c1-32-16-9-7-15(8-10-16)14-29-20-6-4-3-5-18(20)23-22(25(29)31)24(27)30(28-23)21-13-17(33-2)11-12-19(21)26/h3-13H,14,27H2,1-2H3.
What are the key properties of 3-amino-2-(2-chloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(2-chloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 460.92 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 23153899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).