2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]-7-(trifluoromethyl)quinoline-3-carboxamide

C21H19F3N2O2 — CID 56848338

IUPAC2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]-7-(trifluoromethyl)quinoline-3-carboxamide
SMILESCOc1nc2cc(C(F)(F)F)ccc2c(C)c1C(=O)NCc1cccc(C)c1
InChIInChI=1S/C21H19F3N2O2/c1-12-5-4-6-14(9-12)11-25-19(27)18-13(2)16-8-7-15(21(22,23)24)10-17(16)26-20(18)28-3/h4-10H,11H2,1-3H3,(H,25,27)
InChIKeySBWHAKJBNIJZQA-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.81
Rot. Bonds4

About 2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]-7-(trifluoromethyl)quinoline-3-carboxamide

2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]-7-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 56848338) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]-7-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]-7-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID56848338
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]-7-(trifluoromethyl)quinoline-3-carboxamide
SMILESCOc1nc2cc(C(F)(F)F)ccc2c(C)c1C(=O)NCc1cccc(C)c1
InChIInChI=1S/C21H19F3N2O2/c1-12-5-4-6-14(9-12)11-25-19(27)18-13(2)16-8-7-15(21(22,23)24)10-17(16)26-20(18)28-3/h4-10H,11H2,1-3H3,(H,25,27)
InChIKeySBWHAKJBNIJZQA-UHFFFAOYSA-N
XLogP4.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-2-methoxyphenyl)methyl]-2-methoxy-4-methyl-7-(trifluoromethyl)quinoline-3-carboxamide
CID 56847737
2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-4-methyl-7-(trifluoromethyl)quinoline-3-carboxamide
CID 56848083
N-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 108996969
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749577
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide
CID 108945653
1-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100627942
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 110763343
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457
6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 27009221

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]-7-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of 2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]-7-(trifluoromethyl)quinoline-3-carboxamide (CID 56848338) is 2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]-7-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]-7-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for 2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]-7-(trifluoromethyl)quinoline-3-carboxamide is COc1nc2cc(C(F)(F)F)ccc2c(C)c1C(=O)NCc1cccc(C)c1.
What is the InChIKey of 2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]-7-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is SBWHAKJBNIJZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-12-5-4-6-14(9-12)11-25-19(27)18-13(2)16-8-7-15(21(22,23)24)10-17(16)26-20(18)28-3/h4-10H,11H2,1-3H3,(H,25,27).
What are the key properties of 2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]-7-(trifluoromethyl)quinoline-3-carboxamide?
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]-7-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]-7-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 56848338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).