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

C25H20Cl2N4O3 — CID 23153958

IUPAC3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4cc(OC)c(Cl)cc4Cl)nc3c3ccccc32)cc1
InChIInChI=1S/C25H20Cl2N4O3/c1-33-15-9-7-14(8-10-15)13-30-19-6-4-3-5-16(19)23-22(25(30)32)24(28)31(29-23)20-12-21(34-2)18(27)11-17(20)26/h3-12H,13,28H2,1-2H3
InChIKeyUZDCEIDHBWYWKW-UHFFFAOYSA-N
MW495.37 g/mol
LogP5.29
Rot. Bonds5

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

3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (PubChem CID 23153958) has the molecular formula C25H20Cl2N4O3 and a molecular weight of 495.37 g/mol. Its IUPAC name is 3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
PubChem CID23153958
Molecular FormulaC25H20Cl2N4O3
Molecular Weight495.37 g/mol
Exact Mass494.09
IUPAC Name3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4cc(OC)c(Cl)cc4Cl)nc3c3ccccc32)cc1
InChIInChI=1S/C25H20Cl2N4O3/c1-33-15-9-7-14(8-10-15)13-30-19-6-4-3-5-16(19)23-22(25(30)32)24(28)31(29-23)20-12-21(34-2)18(27)11-17(20)26/h3-12H,13,28H2,1-2H3
InChIKeyUZDCEIDHBWYWKW-UHFFFAOYSA-N
XLogP5.29
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.37
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (CID 23153958) is 3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is COc1ccc(Cn2c(=O)c3c(N)n(-c4cc(OC)c(Cl)cc4Cl)nc3c3ccccc32)cc1.
What is the InChIKey of 3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is UZDCEIDHBWYWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N4O3/c1-33-15-9-7-14(8-10-15)13-30-19-6-4-3-5-16(19)23-22(25(30)32)24(28)31(29-23)20-12-21(34-2)18(27)11-17(20)26/h3-12H,13,28H2,1-2H3.
What are the key properties of 3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 495.37 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 23153958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).