2-methyl-N-quinolin-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]azetidine-2-carboxamide

C22H20F3N3O2 — CID 46942902

IUPAC2-methyl-N-quinolin-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]azetidine-2-carboxamide
SMILESCC1(C(=O)Nc2cnc3ccccc3c2)CCN1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H20F3N3O2/c1-21(20(29)27-17-12-16-4-2-3-5-19(16)26-13-17)10-11-28(21)14-15-6-8-18(9-7-15)30-22(23,24)25/h2-9,12-13H,10-11,14H2,1H3,(H,27,29)
InChIKeyAYTVLLSRJGIDCY-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.74
Rot. Bonds5

About 2-methyl-N-quinolin-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]azetidine-2-carboxamide

2-methyl-N-quinolin-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]azetidine-2-carboxamide (PubChem CID 46942902) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 2-methyl-N-quinolin-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]azetidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-quinolin-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]azetidine-2-carboxamide
PubChem CID46942902
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name2-methyl-N-quinolin-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]azetidine-2-carboxamide
SMILESCC1(C(=O)Nc2cnc3ccccc3c2)CCN1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H20F3N3O2/c1-21(20(29)27-17-12-16-4-2-3-5-19(16)26-13-17)10-11-28(21)14-15-6-8-18(9-7-15)30-22(23,24)25/h2-9,12-13H,10-11,14H2,1H3,(H,27,29)
InChIKeyAYTVLLSRJGIDCY-UHFFFAOYSA-N
XLogP4.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-quinolin-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]azetidine-2-carboxamide with MolForge

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Related Compounds

1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 11579880
3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 63139330
1-amino-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 43704712
1-[(3,4-dimethylphenyl)methyl]-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 139984667
2-(4-acetamidophenyl)-N-quinolin-3-ylacetamide
CID 18146526
methyl N-quinolin-3-ylcarbamate
CID 19697860
2,2,3,3-tetrafluoro-N-quinolin-3-ylpropanamide
CID 103732344
1-amino-3-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 64549838
2-amino-1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 166198053
(1S,12S)-12,15,15-trimethyl-N-[4-(trifluoromethoxy)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 42578650
(1S,12R)-12,15,15-trimethyl-N-[4-(trifluoromethoxy)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 98071228
2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid
CID 55115598

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-quinolin-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]azetidine-2-carboxamide?
The IUPAC name of 2-methyl-N-quinolin-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]azetidine-2-carboxamide (CID 46942902) is 2-methyl-N-quinolin-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]azetidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-quinolin-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]azetidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-quinolin-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]azetidine-2-carboxamide is CC1(C(=O)Nc2cnc3ccccc3c2)CCN1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-quinolin-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]azetidine-2-carboxamide?
The InChIKey is AYTVLLSRJGIDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-21(20(29)27-17-12-16-4-2-3-5-19(16)26-13-17)10-11-28(21)14-15-6-8-18(9-7-15)30-22(23,24)25/h2-9,12-13H,10-11,14H2,1H3,(H,27,29).
What are the key properties of 2-methyl-N-quinolin-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]azetidine-2-carboxamide?
2-methyl-N-quinolin-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]azetidine-2-carboxamide has a molecular weight of 415.42 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-quinolin-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]azetidine-2-carboxamide is sourced from PubChem (CID 46942902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).