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

C16H13F3N2O2 — CID 123282552

IUPAC3-amino-6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESNC1Cc2cc(Oc3cccc(C(F)(F)F)c3)ccc2NC1=O
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)10-2-1-3-11(8-10)23-12-4-5-14-9(6-12)7-13(20)15(22)21-14/h1-6,8,13H,7,20H2,(H,21,22)
InChIKeyATPUYFJDBSKDPH-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.32
Rot. Bonds2

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

3-amino-6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 123282552) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 3-amino-6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-amino-6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID123282552
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name3-amino-6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESNC1Cc2cc(Oc3cccc(C(F)(F)F)c3)ccc2NC1=O
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)10-2-1-3-11(8-10)23-12-4-5-14-9(6-12)7-13(20)15(22)21-14/h1-6,8,13H,7,20H2,(H,21,22)
InChIKeyATPUYFJDBSKDPH-UHFFFAOYSA-N
XLogP3.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(3S)-2-sulfanylidene-6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-3-yl]carbamate
CID 90051451
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251
[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
CID 133056705
3-amino-3,4-dihydro-1H-quinolin-2-one;hydroiodide
CID 17234022
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
3-[3-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711
2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 66367223
2-amino-7-[3-[3-(trifluoromethyl)phenyl]phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
CID 174107813
CID 71146552
CID 71146552
[4-[3-(trifluoromethyl)phenoxy]phenoxy]boronic acid
CID 142798495
ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate
CID 4268945

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 3-amino-6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one (CID 123282552) is 3-amino-6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 3-amino-6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 3-amino-6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one is NC1Cc2cc(Oc3cccc(C(F)(F)F)c3)ccc2NC1=O.
What is the InChIKey of 3-amino-6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ATPUYFJDBSKDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c17-16(18,19)10-2-1-3-11(8-10)23-12-4-5-14-9(6-12)7-13(20)15(22)21-14/h1-6,8,13H,7,20H2,(H,21,22).
What are the key properties of 3-amino-6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one?
3-amino-6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 322.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 123282552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).