2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]-N-propan-2-ylbenzamide

C22H19F3N4O2 — CID 121237912

IUPAC2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12
InChIInChI=1S/C22H19F3N4O2/c1-12(2)27-20(30)15-6-4-3-5-14(15)13-7-8-16-18(9-13)29(11-22(23,24)25)21(31)17-10-26-28-19(16)17/h3-10,12,19H,11H2,1-2H3,(H,27,30)
InChIKeyKONKBNVTFOXYHK-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.79
Rot. Bonds4

About 2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]-N-propan-2-ylbenzamide

2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]-N-propan-2-ylbenzamide (PubChem CID 121237912) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is 2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]-N-propan-2-ylbenzamide
PubChem CID121237912
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Name2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12
InChIInChI=1S/C22H19F3N4O2/c1-12(2)27-20(30)15-6-4-3-5-14(15)13-7-8-16-18(9-13)29(11-22(23,24)25)21(31)17-10-26-28-19(16)17/h3-10,12,19H,11H2,1-2H3,(H,27,30)
InChIKeyKONKBNVTFOXYHK-UHFFFAOYSA-N
XLogP4.79
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]-N-propan-2-ylbenzamide (CID 121237912) is 2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12.
What is the InChIKey of 2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]-N-propan-2-ylbenzamide?
The InChIKey is KONKBNVTFOXYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c1-12(2)27-20(30)15-6-4-3-5-14(15)13-7-8-16-18(9-13)29(11-22(23,24)25)21(31)17-10-26-28-19(16)17/h3-10,12,19H,11H2,1-2H3,(H,27,30).
What are the key properties of 2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]-N-propan-2-ylbenzamide?
2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]-N-propan-2-ylbenzamide has a molecular weight of 428.41 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 121237912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).