N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide

C26H22FN3O2 — CID 46541669

IUPACN-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1
InChIInChI=1S/C26H22FN3O2/c1-30(2)26(32)19-9-7-17(8-10-19)16-28-25(31)22-15-24(18-11-13-20(27)14-12-18)29-23-6-4-3-5-21(22)23/h3-15H,16H2,1-2H3,(H,28,31)
InChIKeyZRZBKWGDLAMNFL-UHFFFAOYSA-N
MW427.48 g/mol
LogP4.67
Rot. Bonds5

About N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide (PubChem CID 46541669) has the molecular formula C26H22FN3O2 and a molecular weight of 427.48 g/mol. Its IUPAC name is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
PubChem CID46541669
Molecular FormulaC26H22FN3O2
Molecular Weight427.48 g/mol
Exact Mass427.17
IUPAC NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1
InChIInChI=1S/C26H22FN3O2/c1-30(2)26(32)19-9-7-17(8-10-19)16-28-25(31)22-15-24(18-11-13-20(27)14-12-18)29-23-6-4-3-5-21(22)23/h3-15H,16H2,1-2H3,(H,28,31)
InChIKeyZRZBKWGDLAMNFL-UHFFFAOYSA-N
XLogP4.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
2-(5-chlorothiophen-2-yl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]quinoline-4-carboxamide
CID 22110368
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 17320376
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 46494617
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26132145
2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[(4-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 4309624
2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide
CID 60545039
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 3532105

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide (CID 46541669) is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide is CN(C)C(=O)c1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1.
What is the InChIKey of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The InChIKey is ZRZBKWGDLAMNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O2/c1-30(2)26(32)19-9-7-17(8-10-19)16-28-25(31)22-15-24(18-11-13-20(27)14-12-18)29-23-6-4-3-5-21(22)23/h3-15H,16H2,1-2H3,(H,28,31).
What are the key properties of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide?
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 46541669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).