N-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide

C20H15BrF3N5O2 — CID 139782527

IUPACN-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN1CCN(c2c(Br)cnc3c(NC(=O)c4cnccc4C(F)(F)F)cccc23)C1=O
InChIInChI=1S/C20H15BrF3N5O2/c1-28-7-8-29(19(28)31)17-11-3-2-4-15(16(11)26-10-14(17)21)27-18(30)12-9-25-6-5-13(12)20(22,23)24/h2-6,9-10H,7-8H2,1H3,(H,27,30)
InChIKeyHYTQSWFOIDAHGG-UHFFFAOYSA-N
MW494.27 g/mol
LogP4.54
Rot. Bonds3

About N-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide

N-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 139782527) has the molecular formula C20H15BrF3N5O2 and a molecular weight of 494.27 g/mol. Its IUPAC name is N-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID139782527
Molecular FormulaC20H15BrF3N5O2
Molecular Weight494.27 g/mol
Exact Mass493.04
IUPAC NameN-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN1CCN(c2c(Br)cnc3c(NC(=O)c4cnccc4C(F)(F)F)cccc23)C1=O
InChIInChI=1S/C20H15BrF3N5O2/c1-28-7-8-29(19(28)31)17-11-3-2-4-15(16(11)26-10-14(17)21)27-18(30)12-9-25-6-5-13(12)20(22,23)24/h2-6,9-10H,7-8H2,1H3,(H,27,30)
InChIKeyHYTQSWFOIDAHGG-UHFFFAOYSA-N
XLogP4.54
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.27
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139782558
N-[3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-4-carboxamide
CID 139782439
N-(4-acetamido-3-methylquinolin-8-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139782579
2,4-dichloro-N-[3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide
CID 139782354
N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 67600268
N-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 67613982
N-[3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2,3-dihydro-1H-indole-4-carboxamide
CID 139782388
N-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide
CID 19592856
N-[3-(methoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide
CID 19592503
N-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide
CID 139782543
2,6-dichloro-N-[3-(ethoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide
CID 19592451
N-[4-(3-ethyl-2-oxoimidazolidin-1-yl)-2,3-dimethylquinolin-8-yl]-2-(trifluoromethyl)benzamide
CID 139782488

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 139782527) is N-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide is CN1CCN(c2c(Br)cnc3c(NC(=O)c4cnccc4C(F)(F)F)cccc23)C1=O.
What is the InChIKey of N-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is HYTQSWFOIDAHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrF3N5O2/c1-28-7-8-29(19(28)31)17-11-3-2-4-15(16(11)26-10-14(17)21)27-18(30)12-9-25-6-5-13(12)20(22,23)24/h2-6,9-10H,7-8H2,1H3,(H,27,30).
What are the key properties of N-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 494.27 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 139782527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).