6-[3-(trifluoromethyl)anilino]-3,4-dihydro-1H-quinolin-2-one

C16H13F3N2O — CID 53363372

IUPAC6-[3-(trifluoromethyl)anilino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Nc3cccc(C(F)(F)F)c3)ccc2N1
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)11-2-1-3-12(9-11)20-13-5-6-14-10(8-13)4-7-15(22)21-14/h1-3,5-6,8-9,20H,4,7H2,(H,21,22)
InChIKeyNWKSMUGLLMMCKF-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.33
Rot. Bonds2

About 6-[3-(trifluoromethyl)anilino]-3,4-dihydro-1H-quinolin-2-one

6-[3-(trifluoromethyl)anilino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 53363372) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)anilino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)anilino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID53363372
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name6-[3-(trifluoromethyl)anilino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Nc3cccc(C(F)(F)F)c3)ccc2N1
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)11-2-1-3-12(9-11)20-13-5-6-14-10(8-13)4-7-15(22)21-14/h1-3,5-6,8-9,20H,4,7H2,(H,21,22)
InChIKeyNWKSMUGLLMMCKF-UHFFFAOYSA-N
XLogP4.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)anilino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-(trifluoromethyl)anilino]-3,4-dihydro-1H-quinolin-2-one (CID 53363372) is 6-[3-(trifluoromethyl)anilino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-(trifluoromethyl)anilino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-(trifluoromethyl)anilino]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Nc3cccc(C(F)(F)F)c3)ccc2N1.
What is the InChIKey of 6-[3-(trifluoromethyl)anilino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NWKSMUGLLMMCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c17-16(18,19)11-2-1-3-12(9-11)20-13-5-6-14-10(8-13)4-7-15(22)21-14/h1-3,5-6,8-9,20H,4,7H2,(H,21,22).
What are the key properties of 6-[3-(trifluoromethyl)anilino]-3,4-dihydro-1H-quinolin-2-one?
6-[3-(trifluoromethyl)anilino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 306.29 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)anilino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 53363372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).