1-phenyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-6-amine

C17H11F3N4 — CID 72942331

IUPAC1-phenyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-6-amine
SMILESNc1ccc2nc3c(cc2c1)c(C(F)(F)F)nn3-c1ccccc1
InChIInChI=1S/C17H11F3N4/c18-17(19,20)15-13-9-10-8-11(21)6-7-14(10)22-16(13)24(23-15)12-4-2-1-3-5-12/h1-9H,21H2
InChIKeyKICLFFQZXDJGQA-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.17
Rot. Bonds1

About 1-phenyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-6-amine

1-phenyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-6-amine (PubChem CID 72942331) has the molecular formula C17H11F3N4 and a molecular weight of 328.30 g/mol. Its IUPAC name is 1-phenyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-6-amine.

Molecular Properties

Compound Name1-phenyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-6-amine
PubChem CID72942331
Molecular FormulaC17H11F3N4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name1-phenyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-6-amine
SMILESNc1ccc2nc3c(cc2c1)c(C(F)(F)F)nn3-c1ccccc1
InChIInChI=1S/C17H11F3N4/c18-17(19,20)15-13-9-10-8-11(21)6-7-14(10)22-16(13)24(23-15)12-4-2-1-3-5-12/h1-9H,21H2
InChIKeyKICLFFQZXDJGQA-UHFFFAOYSA-N
XLogP4.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-6-amine?
The IUPAC name of 1-phenyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-6-amine (CID 72942331) is 1-phenyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-6-amine.
What is the SMILES notation for 1-phenyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-6-amine?
The canonical SMILES for 1-phenyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-6-amine is Nc1ccc2nc3c(cc2c1)c(C(F)(F)F)nn3-c1ccccc1.
What is the InChIKey of 1-phenyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-6-amine?
The InChIKey is KICLFFQZXDJGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4/c18-17(19,20)15-13-9-10-8-11(21)6-7-14(10)22-16(13)24(23-15)12-4-2-1-3-5-12/h1-9H,21H2.
What are the key properties of 1-phenyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-6-amine?
1-phenyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-6-amine has a molecular weight of 328.30 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-6-amine is sourced from PubChem (CID 72942331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).