1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone

C18H13F3N2O — CID 43833315

IUPAC1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1Nc1ccnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C18H13F3N2O/c1-11(24)12-5-2-3-8-15(12)23-16-9-10-22-17-13(16)6-4-7-14(17)18(19,20)21/h2-10H,1H3,(H,22,23)
InChIKeySRJJHBNCIHJQKU-UHFFFAOYSA-N
MW330.31 g/mol
LogP5.20
Rot. Bonds3

About 1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone

1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone (PubChem CID 43833315) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is 1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone
PubChem CID43833315
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1Nc1ccnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C18H13F3N2O/c1-11(24)12-5-2-3-8-15(12)23-16-9-10-22-17-13(16)6-4-7-14(17)18(19,20)21/h2-10H,1H3,(H,22,23)
InChIKeySRJJHBNCIHJQKU-UHFFFAOYSA-N
XLogP5.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.31
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid;hydrochloride
CID 70546974
sodium;hydride;2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 173418480
2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid;dihydrate;hydrochloride
CID 70546379
1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone
CID 43832784
butyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate
CID 11315223
propa-1,2-dienyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate
CID 625476
1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone
CID 39850737
N-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine
CID 43833157
2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate;2,3-dihydroxypropyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate
CID 174805868
4-nitro-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoyl chloride
CID 20520126
2-(dimethylamino)ethyl 5-fluoro-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate
CID 23331693
1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone
CID 53264744

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone (CID 43833315) is 1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone is CC(=O)c1ccccc1Nc1ccnc2c(C(F)(F)F)cccc12.
What is the InChIKey of 1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone?
The InChIKey is SRJJHBNCIHJQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c1-11(24)12-5-2-3-8-15(12)23-16-9-10-22-17-13(16)6-4-7-14(17)18(19,20)21/h2-10H,1H3,(H,22,23).
What are the key properties of 1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone?
1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone has a molecular weight of 330.31 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone is sourced from PubChem (CID 43833315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).