8-fluoro-2-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one

C25H19F2N3O — CID 20918663

IUPAC8-fluoro-2-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
SMILESCc1cccc(Cn2cc3c(=O)n(Cc4ccccc4F)nc-3c3cc(F)ccc32)c1
InChIInChI=1S/C25H19F2N3O/c1-16-5-4-6-17(11-16)13-29-15-21-24(20-12-19(26)9-10-23(20)29)28-30(25(21)31)14-18-7-2-3-8-22(18)27/h2-12,15H,13-14H2,1H3
InChIKeyIYRJLAMSKSJPAC-UHFFFAOYSA-N
MW415.44 g/mol
LogP4.99
Rot. Bonds4

About 8-fluoro-2-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one

8-fluoro-2-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one (PubChem CID 20918663) has the molecular formula C25H19F2N3O and a molecular weight of 415.44 g/mol. Its IUPAC name is 8-fluoro-2-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-fluoro-2-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
PubChem CID20918663
Molecular FormulaC25H19F2N3O
Molecular Weight415.44 g/mol
Exact Mass415.15
IUPAC Name8-fluoro-2-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
SMILESCc1cccc(Cn2cc3c(=O)n(Cc4ccccc4F)nc-3c3cc(F)ccc32)c1
InChIInChI=1S/C25H19F2N3O/c1-16-5-4-6-17(11-16)13-29-15-21-24(20-12-19(26)9-10-23(20)29)28-30(25(21)31)14-18-7-2-3-8-22(18)27/h2-12,15H,13-14H2,1H3
InChIKeyIYRJLAMSKSJPAC-UHFFFAOYSA-N
XLogP4.99
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-2-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-benzyl-8-fluoro-3-oxopyrazolo[4,3-c]quinolin-2-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 20918755
2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methylphenyl)acetamide
CID 20918686
8-fluoro-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline
CID 2135550
2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 20918697
5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one
CID 118724594
8-fluoro-5-[(4-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline
CID 2135836
3-[(2-fluorophenyl)methyl]-6-[(3-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 20869486
2-[6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxoquinolin-3-yl]acetic acid
CID 45274855
3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 174323463
3-(1,3-benzodioxol-5-yl)-5-[(3-fluorophenyl)methyl]-8-methylpyrazolo[4,3-c]quinoline
CID 2135492
(5E)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126258604
8-fluoro-5-[(3-methoxyphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline
CID 2135990

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-fluoro-2-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one (CID 20918663) is 8-fluoro-2-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-fluoro-2-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-fluoro-2-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one is Cc1cccc(Cn2cc3c(=O)n(Cc4ccccc4F)nc-3c3cc(F)ccc32)c1.
What is the InChIKey of 8-fluoro-2-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is IYRJLAMSKSJPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3O/c1-16-5-4-6-17(11-16)13-29-15-21-24(20-12-19(26)9-10-23(20)29)28-30(25(21)31)14-18-7-2-3-8-22(18)27/h2-12,15H,13-14H2,1H3.
What are the key properties of 8-fluoro-2-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one?
8-fluoro-2-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 415.44 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 20918663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).