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

C25H19F3N4O2 — CID 23153973

IUPAC3-amino-5-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4cccc(C(F)(F)F)c4)nc3c3ccccc32)cc1
InChIInChI=1S/C25H19F3N4O2/c1-34-18-11-9-15(10-12-18)14-31-20-8-3-2-7-19(20)22-21(24(31)33)23(29)32(30-22)17-6-4-5-16(13-17)25(26,27)28/h2-13H,14,29H2,1H3
InChIKeyZIEJIOFHUQTVIJ-UHFFFAOYSA-N
MW464.45 g/mol
LogP5.00
Rot. Bonds4

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

3-amino-5-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinolin-4-one (PubChem CID 23153973) has the molecular formula C25H19F3N4O2 and a molecular weight of 464.45 g/mol. Its IUPAC name is 3-amino-5-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-5-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinolin-4-one
PubChem CID23153973
Molecular FormulaC25H19F3N4O2
Molecular Weight464.45 g/mol
Exact Mass464.15
IUPAC Name3-amino-5-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4cccc(C(F)(F)F)c4)nc3c3ccccc32)cc1
InChIInChI=1S/C25H19F3N4O2/c1-34-18-11-9-15(10-12-18)14-31-20-8-3-2-7-19(20)22-21(24(31)33)23(29)32(30-22)17-6-4-5-16(13-17)25(26,27)28/h2-13H,14,29H2,1H3
InChIKeyZIEJIOFHUQTVIJ-UHFFFAOYSA-N
XLogP5.00
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-5-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinolin-4-one (CID 23153973) is 3-amino-5-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-5-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-5-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinolin-4-one is COc1ccc(Cn2c(=O)c3c(N)n(-c4cccc(C(F)(F)F)c4)nc3c3ccccc32)cc1.
What is the InChIKey of 3-amino-5-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is ZIEJIOFHUQTVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O2/c1-34-18-11-9-15(10-12-18)14-31-20-8-3-2-7-19(20)22-21(24(31)33)23(29)32(30-22)17-6-4-5-16(13-17)25(26,27)28/h2-13H,14,29H2,1H3.
What are the key properties of 3-amino-5-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinolin-4-one?
3-amino-5-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 464.45 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 23153973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).