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

C24H18F2N4O2 — CID 23153969

IUPAC3-amino-2-(2,5-difluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4cc(F)ccc4F)nc3c3ccccc32)cc1
InChIInChI=1S/C24H18F2N4O2/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
InChIKeyXARGPULMBCCWJD-UHFFFAOYSA-N
MW432.43 g/mol
LogP4.26
Rot. Bonds4

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

3-amino-2-(2,5-difluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (PubChem CID 23153969) has the molecular formula C24H18F2N4O2 and a molecular weight of 432.43 g/mol. Its IUPAC name is 3-amino-2-(2,5-difluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(2,5-difluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
PubChem CID23153969
Molecular FormulaC24H18F2N4O2
Molecular Weight432.43 g/mol
Exact Mass432.14
IUPAC Name3-amino-2-(2,5-difluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4cc(F)ccc4F)nc3c3ccccc32)cc1
InChIInChI=1S/C24H18F2N4O2/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
InChIKeyXARGPULMBCCWJD-UHFFFAOYSA-N
XLogP4.26
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 54.26
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-difluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(2,5-difluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (CID 23153969) is 3-amino-2-(2,5-difluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(2,5-difluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(2,5-difluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is COc1ccc(Cn2c(=O)c3c(N)n(-c4cc(F)ccc4F)nc3c3ccccc32)cc1.
What is the InChIKey of 3-amino-2-(2,5-difluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is XARGPULMBCCWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O2/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-difluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(2,5-difluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 432.43 g/mol, XLogP of 4.26, 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-difluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 23153969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).