N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-2-(4-quinolin-4-yloxyphenoxy)acetamide

C24H18F3N3O4 — CID 90044470

IUPACN-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-2-(4-quinolin-4-yloxyphenoxy)acetamide
SMILESCn1cc(C(F)(F)F)cc(NC(=O)COc2ccc(Oc3ccnc4ccccc34)cc2)c1=O
InChIInChI=1S/C24H18F3N3O4/c1-30-13-15(24(25,26)27)12-20(23(30)32)29-22(31)14-33-16-6-8-17(9-7-16)34-21-10-11-28-19-5-3-2-4-18(19)21/h2-13H,14H2,1H3,(H,29,31)
InChIKeyJLGSYLCYBJNIJS-UHFFFAOYSA-N
MW469.42 g/mol
LogP4.76
Rot. Bonds6

About N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-2-(4-quinolin-4-yloxyphenoxy)acetamide

N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-2-(4-quinolin-4-yloxyphenoxy)acetamide (PubChem CID 90044470) has the molecular formula C24H18F3N3O4 and a molecular weight of 469.42 g/mol. Its IUPAC name is N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-2-(4-quinolin-4-yloxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-2-(4-quinolin-4-yloxyphenoxy)acetamide
PubChem CID90044470
Molecular FormulaC24H18F3N3O4
Molecular Weight469.42 g/mol
Exact Mass469.12
IUPAC NameN-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-2-(4-quinolin-4-yloxyphenoxy)acetamide
SMILESCn1cc(C(F)(F)F)cc(NC(=O)COc2ccc(Oc3ccnc4ccccc34)cc2)c1=O
InChIInChI=1S/C24H18F3N3O4/c1-30-13-15(24(25,26)27)12-20(23(30)32)29-22(31)14-33-16-6-8-17(9-7-16)34-21-10-11-28-19-5-3-2-4-18(19)21/h2-13H,14H2,1H3,(H,29,31)
InChIKeyJLGSYLCYBJNIJS-UHFFFAOYSA-N
XLogP4.76
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-3-[[4-[6-(trifluoromethyl)quinolin-4-yl]oxyphenyl]methyl]urea
CID 90043513
N-methyl-4-[4-[2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethoxy]phenoxy]pyridine-2-carboxamide
CID 90044425
2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide
CID 53329942
2-(4-methoxyphenoxy)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 26725520
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573047
N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27147986
tert-butyl N-[2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-4-(trifluoromethyl)phenyl]carbamate
CID 55969603
2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1291720
N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467631
2-imidazol-1-yl-N-(4-quinolin-4-yloxyphenyl)acetamide
CID 71984235
methyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate
CID 130296636
N-(2-methylphenyl)-2-[4-[[4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-3-yl]iminomethyl]phenoxy]acetamide
CID 126300662

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-2-(4-quinolin-4-yloxyphenoxy)acetamide?
The IUPAC name of N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-2-(4-quinolin-4-yloxyphenoxy)acetamide (CID 90044470) is N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-2-(4-quinolin-4-yloxyphenoxy)acetamide.
What is the SMILES notation for N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-2-(4-quinolin-4-yloxyphenoxy)acetamide?
The canonical SMILES for N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-2-(4-quinolin-4-yloxyphenoxy)acetamide is Cn1cc(C(F)(F)F)cc(NC(=O)COc2ccc(Oc3ccnc4ccccc34)cc2)c1=O.
What is the InChIKey of N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-2-(4-quinolin-4-yloxyphenoxy)acetamide?
The InChIKey is JLGSYLCYBJNIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O4/c1-30-13-15(24(25,26)27)12-20(23(30)32)29-22(31)14-33-16-6-8-17(9-7-16)34-21-10-11-28-19-5-3-2-4-18(19)21/h2-13H,14H2,1H3,(H,29,31).
What are the key properties of N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-2-(4-quinolin-4-yloxyphenoxy)acetamide?
N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-2-(4-quinolin-4-yloxyphenoxy)acetamide has a molecular weight of 469.42 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-2-(4-quinolin-4-yloxyphenoxy)acetamide is sourced from PubChem (CID 90044470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).