2-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C18H12F3N3O2 — CID 100955385

IUPAC2-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4cc(C(F)(F)F)ccc43)c2=O)cc1
InChIInChI=1S/C18H12F3N3O2/c1-26-12-5-3-11(4-6-12)24-17(25)14-9-22-15-8-10(18(19,20)21)2-7-13(15)16(14)23-24/h2-9,23H,1H3
InChIKeySVBVUIJJKSMDKY-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.89
Rot. Bonds2

About 2-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one

2-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 100955385) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID100955385
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC Name2-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4cc(C(F)(F)F)ccc43)c2=O)cc1
InChIInChI=1S/C18H12F3N3O2/c1-26-12-5-3-11(4-6-12)24-17(25)14-9-22-15-8-10(18(19,20)21)2-7-13(15)16(14)23-24/h2-9,23H,1H3
InChIKeySVBVUIJJKSMDKY-UHFFFAOYSA-N
XLogP3.89
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Analyze 2-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 100955385) is 2-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one is COc1ccc(-n2[nH]c3c(cnc4cc(C(F)(F)F)ccc43)c2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is SVBVUIJJKSMDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c1-26-12-5-3-11(4-6-12)24-17(25)14-9-22-15-8-10(18(19,20)21)2-7-13(15)16(14)23-24/h2-9,23H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
2-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 359.31 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 100955385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).