6-chloro-9-hydroxy-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-4-one

C12H7ClF3N3O2 — CID 23647201

IUPAC6-chloro-9-hydroxy-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-4-one
SMILESCn1nc(C(F)(F)F)c2c(=O)c3cc(Cl)ccc3n(O)c21
InChIInChI=1S/C12H7ClF3N3O2/c1-18-11-8(10(17-18)12(14,15)16)9(20)6-4-5(13)2-3-7(6)19(11)21/h2-4,21H,1H3
InChIKeyPAMZHNHIZCTSRT-UHFFFAOYSA-N
MW317.65 g/mol
LogP2.80
Rot. Bonds

About 6-chloro-9-hydroxy-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-4-one

6-chloro-9-hydroxy-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-4-one (PubChem CID 23647201) has the molecular formula C12H7ClF3N3O2 and a molecular weight of 317.65 g/mol. Its IUPAC name is 6-chloro-9-hydroxy-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-4-one.

Molecular Properties

Compound Name6-chloro-9-hydroxy-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-4-one
PubChem CID23647201
Molecular FormulaC12H7ClF3N3O2
Molecular Weight317.65 g/mol
Exact Mass317.02
IUPAC Name6-chloro-9-hydroxy-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-4-one
SMILESCn1nc(C(F)(F)F)c2c(=O)c3cc(Cl)ccc3n(O)c21
InChIInChI=1S/C12H7ClF3N3O2/c1-18-11-8(10(17-18)12(14,15)16)9(20)6-4-5(13)2-3-7(6)19(11)21/h2-4,21H,1H3
InChIKeyPAMZHNHIZCTSRT-UHFFFAOYSA-N
XLogP2.80
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.65
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-hydroxy-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-4-one?
The IUPAC name of 6-chloro-9-hydroxy-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-4-one (CID 23647201) is 6-chloro-9-hydroxy-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-4-one.
What is the SMILES notation for 6-chloro-9-hydroxy-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-4-one?
The canonical SMILES for 6-chloro-9-hydroxy-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-4-one is Cn1nc(C(F)(F)F)c2c(=O)c3cc(Cl)ccc3n(O)c21.
What is the InChIKey of 6-chloro-9-hydroxy-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-4-one?
The InChIKey is PAMZHNHIZCTSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N3O2/c1-18-11-8(10(17-18)12(14,15)16)9(20)6-4-5(13)2-3-7(6)19(11)21/h2-4,21H,1H3.
What are the key properties of 6-chloro-9-hydroxy-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-4-one?
6-chloro-9-hydroxy-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-4-one has a molecular weight of 317.65 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-hydroxy-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]quinolin-4-one is sourced from PubChem (CID 23647201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).