2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide

C12H10F3N3O — CID 141322057

IUPAC2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide
SMILESNC(=O)CNc1ccnc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)7-1-2-9-8(5-7)10(3-4-17-9)18-6-11(16)19/h1-5H,6H2,(H2,16,19)(H,17,18)
InChIKeyOYJGMDLMGNMBMC-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.15
Rot. Bonds3

About 2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide

2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide (PubChem CID 141322057) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide
PubChem CID141322057
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide
SMILESNC(=O)CNc1ccnc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)7-1-2-9-8(5-7)10(3-4-17-9)18-6-11(16)19/h1-5H,6H2,(H2,16,19)(H,17,18)
InChIKeyOYJGMDLMGNMBMC-UHFFFAOYSA-N
XLogP2.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(quinolin-4-ylamino)acetamide
CID 61340443
N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide
CID 86802912
3-[[6-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 46397739
(6-tert-butylquinolin-4-yl)hydrazine
CID 62251402
2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
CID 71192936
[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954
4-ethyl-6-(trifluoromethyl)quinoline
CID 123745234
2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide
CID 133402575
2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol
CID 44532338
N-(6-bromoquinolin-4-yl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 154558825
4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 164580415
4-propan-2-yl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol
CID 44532297

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide?
The IUPAC name of 2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide (CID 141322057) is 2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide.
What is the SMILES notation for 2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide?
The canonical SMILES for 2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide is NC(=O)CNc1ccnc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide?
The InChIKey is OYJGMDLMGNMBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)7-1-2-9-8(5-7)10(3-4-17-9)18-6-11(16)19/h1-5H,6H2,(H2,16,19)(H,17,18).
What are the key properties of 2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide?
2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide has a molecular weight of 269.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide is sourced from PubChem (CID 141322057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).