2,2,2-trifluoro-N-[2-(N-methylanilino)-2-oxoethyl]-N-quinolin-8-ylacetamide

C20H16F3N3O2 — CID 15670880

IUPAC2,2,2-trifluoro-N-[2-(N-methylanilino)-2-oxoethyl]-N-quinolin-8-ylacetamide
SMILESCN(C(=O)CN(C(=O)C(F)(F)F)c1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C20H16F3N3O2/c1-25(15-9-3-2-4-10-15)17(27)13-26(19(28)20(21,22)23)16-11-5-7-14-8-6-12-24-18(14)16/h2-12H,13H2,1H3
InChIKeyFJLHUHFJCJBGCZ-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.79
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(N-methylanilino)-2-oxoethyl]-N-quinolin-8-ylacetamide

2,2,2-trifluoro-N-[2-(N-methylanilino)-2-oxoethyl]-N-quinolin-8-ylacetamide (PubChem CID 15670880) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(N-methylanilino)-2-oxoethyl]-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(N-methylanilino)-2-oxoethyl]-N-quinolin-8-ylacetamide
PubChem CID15670880
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name2,2,2-trifluoro-N-[2-(N-methylanilino)-2-oxoethyl]-N-quinolin-8-ylacetamide
SMILESCN(C(=O)CN(C(=O)C(F)(F)F)c1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C20H16F3N3O2/c1-25(15-9-3-2-4-10-15)17(27)13-26(19(28)20(21,22)23)16-11-5-7-14-8-6-12-24-18(14)16/h2-12H,13H2,1H3
InChIKeyFJLHUHFJCJBGCZ-UHFFFAOYSA-N
XLogP3.79
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[[2-(N-methylanilino)-2-oxoethyl]-quinolin-8-ylamino]-2-oxoethyl]carbamoylamino]benzoic acid
CID 15670896
tert-butyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-quinolin-8-ylamino]acetate
CID 15670869
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-quinolin-8-ylacetamide
CID 113178652
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43442375
tert-butyl 2-[(2-isocyanatoacetyl)-quinolin-8-ylamino]acetate
CID 15670906
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide
CID 113175089
tert-butyl N-(3,3-diphenylpropanoyl)-N-quinolin-8-ylcarbamate
CID 138964998
N-ethyl-N-phenyl-2-(quinolin-8-ylamino)acetamide
CID 109007764
2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid
CID 59772112
N-methyl-N-phenyl-2-pyrimidin-2-yloxyacetamide
CID 121086783
methyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate
CID 11152005
N-methyl-N-phenyl-2-(N,2,3-trimethylanilino)acetamide
CID 60525145

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(N-methylanilino)-2-oxoethyl]-N-quinolin-8-ylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(N-methylanilino)-2-oxoethyl]-N-quinolin-8-ylacetamide (CID 15670880) is 2,2,2-trifluoro-N-[2-(N-methylanilino)-2-oxoethyl]-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(N-methylanilino)-2-oxoethyl]-N-quinolin-8-ylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(N-methylanilino)-2-oxoethyl]-N-quinolin-8-ylacetamide is CN(C(=O)CN(C(=O)C(F)(F)F)c1cccc2cccnc12)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(N-methylanilino)-2-oxoethyl]-N-quinolin-8-ylacetamide?
The InChIKey is FJLHUHFJCJBGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-25(15-9-3-2-4-10-15)17(27)13-26(19(28)20(21,22)23)16-11-5-7-14-8-6-12-24-18(14)16/h2-12H,13H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(N-methylanilino)-2-oxoethyl]-N-quinolin-8-ylacetamide?
2,2,2-trifluoro-N-[2-(N-methylanilino)-2-oxoethyl]-N-quinolin-8-ylacetamide has a molecular weight of 387.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(N-methylanilino)-2-oxoethyl]-N-quinolin-8-ylacetamide is sourced from PubChem (CID 15670880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).