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

C24H18Cl2N4O2 — CID 23154107

IUPAC3-amino-2-(2,5-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4cc(Cl)ccc4Cl)nc3c3ccccc32)cc1
InChIInChI=1S/C24H18Cl2N4O2/c1-32-16-9-6-14(7-10-16)13-29-19-5-3-2-4-17(19)22-21(24(29)31)23(27)30(28-22)20-12-15(25)8-11-18(20)26/h2-12H,13,27H2,1H3
InChIKeyLBOUQHXIVZVNCC-UHFFFAOYSA-N
MW465.34 g/mol
LogP5.29
Rot. Bonds4

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

3-amino-2-(2,5-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (PubChem CID 23154107) has the molecular formula C24H18Cl2N4O2 and a molecular weight of 465.34 g/mol. Its IUPAC name is 3-amino-2-(2,5-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(2,5-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
PubChem CID23154107
Molecular FormulaC24H18Cl2N4O2
Molecular Weight465.34 g/mol
Exact Mass464.08
IUPAC Name3-amino-2-(2,5-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4cc(Cl)ccc4Cl)nc3c3ccccc32)cc1
InChIInChI=1S/C24H18Cl2N4O2/c1-32-16-9-6-14(7-10-16)13-29-19-5-3-2-4-17(19)22-21(24(29)31)23(27)30(28-22)20-12-15(25)8-11-18(20)26/h2-12H,13,27H2,1H3
InChIKeyLBOUQHXIVZVNCC-UHFFFAOYSA-N
XLogP5.29
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.34
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,5-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(2,5-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (CID 23154107) is 3-amino-2-(2,5-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(2,5-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(2,5-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is COc1ccc(Cn2c(=O)c3c(N)n(-c4cc(Cl)ccc4Cl)nc3c3ccccc32)cc1.
What is the InChIKey of 3-amino-2-(2,5-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is LBOUQHXIVZVNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N4O2/c1-32-16-9-6-14(7-10-16)13-29-19-5-3-2-4-17(19)22-21(24(29)31)23(27)30(28-22)20-12-15(25)8-11-18(20)26/h2-12H,13,27H2,1H3.
What are the key properties of 3-amino-2-(2,5-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(2,5-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 465.34 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,5-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 23154107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).