[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]carbamic acid

C18H17F3N2O2 — CID 66684624

IUPAC[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]carbamic acid
SMILESO=C(O)NC1Cc2ccc(C(F)(F)F)cc2N(Cc2ccccc2)C1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)14-7-6-13-8-15(22-17(24)25)11-23(16(13)9-14)10-12-4-2-1-3-5-12/h1-7,9,15,22H,8,10-11H2,(H,24,25)
InChIKeySSJCOLCJNBPBLC-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.90
Rot. Bonds3

About [1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]carbamic acid

[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]carbamic acid (PubChem CID 66684624) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is [1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]carbamic acid
PubChem CID66684624
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]carbamic acid
SMILESO=C(O)NC1Cc2ccc(C(F)(F)F)cc2N(Cc2ccccc2)C1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)14-7-6-13-8-15(22-17(24)25)11-23(16(13)9-14)10-12-4-2-1-3-5-12/h1-7,9,15,22H,8,10-11H2,(H,24,25)
InChIKeySSJCOLCJNBPBLC-UHFFFAOYSA-N
XLogP3.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
CID 59778187
(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid
CID 66757512
1-benzyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid
CID 142990229
tert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate
CID 59297053
N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide
CID 68580895
1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxamide
CID 66683745
1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid
CID 161163508
(2R)-N-[(3R)-1-benzyl-6-(4-fluorophenyl)-3,4-dihydro-2H-quinolin-3-yl]-2-hydroxy-3-phenylpropanamide
CID 140527214
(3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 25331872
N-(1-benzyl-6-isocyano-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide
CID 58674918
N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-phenylmethoxypropanamide
CID 68580973
N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide
CID 68582624

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]carbamic acid?
The IUPAC name of [1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]carbamic acid (CID 66684624) is [1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]carbamic acid.
What is the SMILES notation for [1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]carbamic acid?
The canonical SMILES for [1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]carbamic acid is O=C(O)NC1Cc2ccc(C(F)(F)F)cc2N(Cc2ccccc2)C1.
What is the InChIKey of [1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]carbamic acid?
The InChIKey is SSJCOLCJNBPBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c19-18(20,21)14-7-6-13-8-15(22-17(24)25)11-23(16(13)9-14)10-12-4-2-1-3-5-12/h1-7,9,15,22H,8,10-11H2,(H,24,25).
What are the key properties of [1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]carbamic acid?
[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]carbamic acid has a molecular weight of 350.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]carbamic acid is sourced from PubChem (CID 66684624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).