6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide

C21H19F3N2O2 — CID 36917170

IUPAC6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)cc2c1
InChIInChI=1S/C21H19F3N2O2/c1-13-18(11-15-10-17(28-3)8-9-19(15)25-13)20(27)26(2)12-14-4-6-16(7-5-14)21(22,23)24/h4-11H,12H2,1-3H3
InChIKeyALGXROILCFENKK-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.84
Rot. Bonds4

About 6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide

6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide (PubChem CID 36917170) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide
PubChem CID36917170
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)cc2c1
InChIInChI=1S/C21H19F3N2O2/c1-13-18(11-15-10-17(28-3)8-9-19(15)25-13)20(27)26(2)12-14-4-6-16(7-5-14)21(22,23)24/h4-11H,12H2,1-3H3
InChIKeyALGXROILCFENKK-UHFFFAOYSA-N
XLogP4.84
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide?
The IUPAC name of 6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide (CID 36917170) is 6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide.
What is the SMILES notation for 6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide?
The canonical SMILES for 6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide is COc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)cc2c1.
What is the InChIKey of 6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide?
The InChIKey is ALGXROILCFENKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-13-18(11-15-10-17(28-3)8-9-19(15)25-13)20(27)26(2)12-14-4-6-16(7-5-14)21(22,23)24/h4-11H,12H2,1-3H3.
What are the key properties of 6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide?
6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide is sourced from PubChem (CID 36917170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).