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

C25H26F3N5O2 — CID 121237953

IUPACN-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide
SMILESCCN(CCN(C)C)C(=O)c1ccccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12
InChIInChI=1S/C25H26F3N5O2/c1-4-32(12-11-31(2)3)23(34)18-8-6-5-7-17(18)16-9-10-19-21(13-16)33(15-25(26,27)28)24(35)20-14-29-30-22(19)20/h5-10,13-14,22H,4,11-12,15H2,1-3H3
InChIKeyFQATXXCPGPGRPH-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.68
Rot. Bonds7

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

N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide (PubChem CID 121237953) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide
PubChem CID121237953
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC NameN-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide
SMILESCCN(CCN(C)C)C(=O)c1ccccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12
InChIInChI=1S/C25H26F3N5O2/c1-4-32(12-11-31(2)3)23(34)18-8-6-5-7-17(18)16-9-10-19-21(13-16)33(15-25(26,27)28)24(35)20-14-29-30-22(19)20/h5-10,13-14,22H,4,11-12,15H2,1-3H3
InChIKeyFQATXXCPGPGRPH-UHFFFAOYSA-N
XLogP4.68
TPSA68.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide 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 N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide (CID 121237953) is N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide is CCN(CCN(C)C)C(=O)c1ccccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide?
The InChIKey is FQATXXCPGPGRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-4-32(12-11-31(2)3)23(34)18-8-6-5-7-17(18)16-9-10-19-21(13-16)33(15-25(26,27)28)24(35)20-14-29-30-22(19)20/h5-10,13-14,22H,4,11-12,15H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide?
N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide has a molecular weight of 485.51 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide is sourced from PubChem (CID 121237953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).