2-amino-N-quinolin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;ethane;methane

C22H26F3N3O — CID 143988542

IUPAC2-amino-N-quinolin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;ethane;methane
SMILESC.CC.NCC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1cnc2ccccc2c1
InChIInChI=1S/C19H16F3N3O.C2H6.CH4/c20-19(21,22)15-7-5-13(6-8-15)12-25(18(26)10-23)16-9-14-3-1-2-4-17(14)24-11-16;1-2;/h1-9,11H,10,12,23H2;1-2H3;1H4
InChIKeyKVRRFPBEQOUKDI-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.41
Rot. Bonds4

About 2-amino-N-quinolin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;ethane;methane

2-amino-N-quinolin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;ethane;methane (PubChem CID 143988542) has the molecular formula C22H26F3N3O and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-amino-N-quinolin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;ethane;methane.

Molecular Properties

Compound Name2-amino-N-quinolin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;ethane;methane
PubChem CID143988542
Molecular FormulaC22H26F3N3O
Molecular Weight405.46 g/mol
Exact Mass405.20
IUPAC Name2-amino-N-quinolin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;ethane;methane
SMILESC.CC.NCC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1cnc2ccccc2c1
InChIInChI=1S/C19H16F3N3O.C2H6.CH4/c20-19(21,22)15-7-5-13(6-8-15)12-25(18(26)10-23)16-9-14-3-1-2-4-17(14)24-11-16;1-2;/h1-9,11H,10,12,23H2;1-2H3;1H4
InChIKeyKVRRFPBEQOUKDI-UHFFFAOYSA-N
XLogP5.41
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-quinolin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;ethane;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(4-methoxyphenyl)methyl]-N-quinolin-3-ylpyrimidine-5-carboxamide
CID 118961847
3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
CID 154466638
(2S)-2-(methylamino)-N-quinolin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 59868559
2-amino-N-[(4-ethylphenyl)methyl]-N-phenylacetamide
CID 39367115
1-(1,3-benzothiazol-7-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 174498124
phenyl-[[4-(trifluoromethyl)phenyl]methyl]carbamic acid;2,2,2-trifluoroacetic acid
CID 158988561
(2S)-2-[[amino-[2-[bis(2-aminoethyl)amino]-2-oxoethyl]carbamoyl]amino]-N-quinolin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide;tetrahydrochloride
CID 171924616
2,5-diamino-4-(aminomethyl)-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanamide
CID 46221891
2-amino-N-methyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 83538987
(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2R)-1-(quinolin-3-ylamino)-1-sulfanylidene-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide
CID 59366795
(2S)-N'-(2-aminoethyl)-2-methyl-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-N'-propylbutanediamide
CID 143988382
2-amino-N-[(4-chlorophenyl)methyl]-N-phenylacetamide
CID 39373717

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-quinolin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;ethane;methane?
The IUPAC name of 2-amino-N-quinolin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;ethane;methane (CID 143988542) is 2-amino-N-quinolin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;ethane;methane.
What is the SMILES notation for 2-amino-N-quinolin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;ethane;methane?
The canonical SMILES for 2-amino-N-quinolin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;ethane;methane is C.CC.NCC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1cnc2ccccc2c1.
What is the InChIKey of 2-amino-N-quinolin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;ethane;methane?
The InChIKey is KVRRFPBEQOUKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O.C2H6.CH4/c20-19(21,22)15-7-5-13(6-8-15)12-25(18(26)10-23)16-9-14-3-1-2-4-17(14)24-11-16;1-2;/h1-9,11H,10,12,23H2;1-2H3;1H4.
What are the key properties of 2-amino-N-quinolin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;ethane;methane?
2-amino-N-quinolin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;ethane;methane has a molecular weight of 405.46 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-quinolin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;ethane;methane is sourced from PubChem (CID 143988542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).