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

C24H24F3N5O2 — CID 121237952

IUPACN-[2-(dimethylamino)ethyl]-N-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide
SMILESCN(C)CCN(C)C(=O)c1ccccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12
InChIInChI=1S/C24H24F3N5O2/c1-30(2)10-11-31(3)22(33)17-7-5-4-6-16(17)15-8-9-18-20(12-15)32(14-24(25,26)27)23(34)19-13-28-29-21(18)19/h4-9,12-13,21H,10-11,14H2,1-3H3
InChIKeyOVKUXJUMFMKKFI-UHFFFAOYSA-N
MW471.48 g/mol
LogP4.29
Rot. Bonds6

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

N-[2-(dimethylamino)ethyl]-N-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide (PubChem CID 121237952) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-methyl-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-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide
PubChem CID121237952
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC NameN-[2-(dimethylamino)ethyl]-N-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide
SMILESCN(C)CCN(C)C(=O)c1ccccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12
InChIInChI=1S/C24H24F3N5O2/c1-30(2)10-11-31(3)22(33)17-7-5-4-6-16(17)15-8-9-18-20(12-15)32(14-24(25,26)27)23(34)19-13-28-29-21(18)19/h4-9,12-13,21H,10-11,14H2,1-3H3
InChIKeyOVKUXJUMFMKKFI-UHFFFAOYSA-N
XLogP4.29
TPSA68.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-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-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide (CID 121237952) is N-[2-(dimethylamino)ethyl]-N-methyl-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-methyl-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-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide is CN(C)CCN(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-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide?
The InChIKey is OVKUXJUMFMKKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-30(2)10-11-31(3)22(33)17-7-5-4-6-16(17)15-8-9-18-20(12-15)32(14-24(25,26)27)23(34)19-13-28-29-21(18)19/h4-9,12-13,21H,10-11,14H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide?
N-[2-(dimethylamino)ethyl]-N-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide has a molecular weight of 471.48 g/mol, XLogP of 4.29, 6 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-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]benzamide is sourced from PubChem (CID 121237952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).