6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide

C18H17F3N2O2 — CID 170101789

IUPAC6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCc1ccc2c(c1)CCCN2C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O2/c1-12-4-9-16-13(11-12)3-2-10-23(16)17(24)22-14-5-7-15(8-6-14)25-18(19,20)21/h4-9,11H,2-3,10H2,1H3,(H,22,24)
InChIKeyDGBQYRFDPUWVID-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.88
Rot. Bonds2

About 6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide

6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 170101789) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID170101789
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCc1ccc2c(c1)CCCN2C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O2/c1-12-4-9-16-13(11-12)3-2-10-23(16)17(24)22-14-5-7-15(8-6-14)25-18(19,20)21/h4-9,11H,2-3,10H2,1H3,(H,22,24)
InChIKeyDGBQYRFDPUWVID-UHFFFAOYSA-N
XLogP4.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)-2-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]sulfanylacetamide
CID 55671719
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
2,2-dimethyl-3-oxo-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanenitrile
CID 60530285
6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 134093336
N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
CID 162489929
2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 34225384
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
(2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
CID 78967798
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 42998708
7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 23032395
2-(4-fluorophenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762093
N-[4-(difluoromethoxy)phenyl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8593590

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 170101789) is 6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide is Cc1ccc2c(c1)CCCN2C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is DGBQYRFDPUWVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-12-4-9-16-13(11-12)3-2-10-23(16)17(24)22-14-5-7-15(8-6-14)25-18(19,20)21/h4-9,11H,2-3,10H2,1H3,(H,22,24).
What are the key properties of 6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 170101789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).