N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide

C14H14F3N3O — CID 86802912

IUPACN-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide
SMILESCCNC(=O)CNc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C14H14F3N3O/c1-2-18-13(21)8-20-11-5-6-19-12-7-9(14(15,16)17)3-4-10(11)12/h3-7H,2,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyVFUWETZJCXGFIO-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.80
Rot. Bonds4

About N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide

N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide (PubChem CID 86802912) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide
PubChem CID86802912
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide
SMILESCCNC(=O)CNc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C14H14F3N3O/c1-2-18-13(21)8-20-11-5-6-19-12-7-9(14(15,16)17)3-4-10(11)12/h3-7H,2,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyVFUWETZJCXGFIO-UHFFFAOYSA-N
XLogP2.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide
CID 133402575
N-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133402646
2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide
CID 141322057
N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride
CID 12742474
[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954
4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 164580415
1-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone;hydrochloride
CID 90485767
tert-butyl 2-[[7-(trifluoromethyl)quinoline-4-carbonyl]amino]acetate
CID 170539767
1,1-difluoro-1-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpropan-2-one
CID 10758107
N-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide
CID 133400854
N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride
CID 21433856
trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine
CID 10625318

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide?
The IUPAC name of N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide (CID 86802912) is N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide is CCNC(=O)CNc1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide?
The InChIKey is VFUWETZJCXGFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-2-18-13(21)8-20-11-5-6-19-12-7-9(14(15,16)17)3-4-10(11)12/h3-7H,2,8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide?
N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide has a molecular weight of 297.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide is sourced from PubChem (CID 86802912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).