N-[4-(3,3-dimethylpyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-methoxy-4-oxo-1H-quinoline-3-carboxamide

C24H24F3N3O3 — CID 53247008

IUPACN-[4-(3,3-dimethylpyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)Nc3ccc(N4CCC(C)(C)C4)cc3C(F)(F)F)c(=O)c2c1
InChIInChI=1S/C24H24F3N3O3/c1-23(2)8-9-30(13-23)14-4-6-20(18(10-14)24(25,26)27)29-22(32)17-12-28-19-7-5-15(33-3)11-16(19)21(17)31/h4-7,10-12H,8-9,13H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyUASMHZLYMOUCEW-UHFFFAOYSA-N
MW459.47 g/mol
LogP5.04
Rot. Bonds4

About N-[4-(3,3-dimethylpyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-methoxy-4-oxo-1H-quinoline-3-carboxamide

N-[4-(3,3-dimethylpyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-methoxy-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 53247008) has the molecular formula C24H24F3N3O3 and a molecular weight of 459.47 g/mol. Its IUPAC name is N-[4-(3,3-dimethylpyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-methoxy-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,3-dimethylpyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
PubChem CID53247008
Molecular FormulaC24H24F3N3O3
Molecular Weight459.47 g/mol
Exact Mass459.18
IUPAC NameN-[4-(3,3-dimethylpyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)Nc3ccc(N4CCC(C)(C)C4)cc3C(F)(F)F)c(=O)c2c1
InChIInChI=1S/C24H24F3N3O3/c1-23(2)8-9-30(13-23)14-4-6-20(18(10-14)24(25,26)27)29-22(32)17-12-28-19-7-5-15(33-3)11-16(19)21(17)31/h4-7,10-12H,8-9,13H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyUASMHZLYMOUCEW-UHFFFAOYSA-N
XLogP5.04
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.47
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(3,3-dimethylpyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-methoxy-4-oxo-1H-quinoline-3-carboxamide 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-[4-(3,3-dimethylpyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[4-(3,3-dimethylpyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-methoxy-4-oxo-1H-quinoline-3-carboxamide (CID 53247008) is N-[4-(3,3-dimethylpyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-methoxy-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[4-(3,3-dimethylpyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[4-(3,3-dimethylpyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-methoxy-4-oxo-1H-quinoline-3-carboxamide is COc1ccc2[nH]cc(C(=O)Nc3ccc(N4CCC(C)(C)C4)cc3C(F)(F)F)c(=O)c2c1.
What is the InChIKey of N-[4-(3,3-dimethylpyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is UASMHZLYMOUCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O3/c1-23(2)8-9-30(13-23)14-4-6-20(18(10-14)24(25,26)27)29-22(32)17-12-28-19-7-5-15(33-3)11-16(19)21(17)31/h4-7,10-12H,8-9,13H2,1-3H3,(H,28,31)(H,29,32).
What are the key properties of N-[4-(3,3-dimethylpyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-methoxy-4-oxo-1H-quinoline-3-carboxamide?
N-[4-(3,3-dimethylpyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-methoxy-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-dimethylpyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-methoxy-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 53247008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).