N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide

C24H18F3N5O2 — CID 67600268

IUPACN-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cnc2c(NC(=O)c3cnccc3C(F)(F)F)cccc2c1NC(=O)Nc1ccccc1
InChIInChI=1S/C24H18F3N5O2/c1-14-12-29-21-16(20(14)32-23(34)30-15-6-3-2-4-7-15)8-5-9-19(21)31-22(33)17-13-28-11-10-18(17)24(25,26)27/h2-13H,1H3,(H,31,33)(H2,29,30,32,34)
InChIKeyVGQUFHJXBUUCQS-UHFFFAOYSA-N
MW465.44 g/mol
LogP5.85
Rot. Bonds4

About N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide

N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 67600268) has the molecular formula C24H18F3N5O2 and a molecular weight of 465.44 g/mol. Its IUPAC name is N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID67600268
Molecular FormulaC24H18F3N5O2
Molecular Weight465.44 g/mol
Exact Mass465.14
IUPAC NameN-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cnc2c(NC(=O)c3cnccc3C(F)(F)F)cccc2c1NC(=O)Nc1ccccc1
InChIInChI=1S/C24H18F3N5O2/c1-14-12-29-21-16(20(14)32-23(34)30-15-6-3-2-4-7-15)8-5-9-19(21)31-22(33)17-13-28-11-10-18(17)24(25,26)27/h2-13H,1H3,(H,31,33)(H2,29,30,32,34)
InChIKeyVGQUFHJXBUUCQS-UHFFFAOYSA-N
XLogP5.85
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.44
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-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

Related Compounds

N-(4-acetamido-3-methylquinolin-8-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139782579
2,4-dimethyl-N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]pyridine-3-carboxamide
CID 67600616
N-(4-hydrazinyl-3-methylquinolin-8-yl)-2-(trifluoromethyl)benzamide
CID 19592320
N-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 67613982
N-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide
CID 139782331
N-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139782558
N-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide
CID 139782543
N-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139782527
N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 70338497
N-[3-methyl-4-(1-methylimidazol-2-yl)sulfanylquinolin-8-yl]-2-(trifluoromethyl)benzamide
CID 139782614
4-[3-[(2-chlorophenyl)carbamoylamino]phenyl]-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 66913960
3-fluoro-N-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyridine-4-carboxamide
CID 121264530

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 67600268) is N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide is Cc1cnc2c(NC(=O)c3cnccc3C(F)(F)F)cccc2c1NC(=O)Nc1ccccc1.
What is the InChIKey of N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VGQUFHJXBUUCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2/c1-14-12-29-21-16(20(14)32-23(34)30-15-6-3-2-4-7-15)8-5-9-19(21)31-22(33)17-13-28-11-10-18(17)24(25,26)27/h2-13H,1H3,(H,31,33)(H2,29,30,32,34).
What are the key properties of N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 465.44 g/mol, XLogP of 5.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 67600268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).