4-[(3-oxocyclobutyl)amino]-7-(trifluoromethyl)-1H-quinolin-2-one

C14H11F3N2O2 — CID 175707358

IUPAC4-[(3-oxocyclobutyl)amino]-7-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=C1CC(Nc2cc(=O)[nH]c3cc(C(F)(F)F)ccc23)C1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)7-1-2-10-11(3-7)19-13(21)6-12(10)18-8-4-9(20)5-8/h1-3,6,8H,4-5H2,(H2,18,19,21)
InChIKeyWTGYTBWTYMVUSV-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.69
Rot. Bonds2

About 4-[(3-oxocyclobutyl)amino]-7-(trifluoromethyl)-1H-quinolin-2-one

4-[(3-oxocyclobutyl)amino]-7-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 175707358) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 4-[(3-oxocyclobutyl)amino]-7-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(3-oxocyclobutyl)amino]-7-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID175707358
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name4-[(3-oxocyclobutyl)amino]-7-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=C1CC(Nc2cc(=O)[nH]c3cc(C(F)(F)F)ccc23)C1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)7-1-2-10-11(3-7)19-13(21)6-12(10)18-8-4-9(20)5-8/h1-3,6,8H,4-5H2,(H2,18,19,21)
InChIKeyWTGYTBWTYMVUSV-UHFFFAOYSA-N
XLogP2.69
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-oxocyclobutyl)amino]-7-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 4-[(3-oxocyclobutyl)amino]-7-(trifluoromethyl)-1H-quinolin-2-one (CID 175707358) is 4-[(3-oxocyclobutyl)amino]-7-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-[(3-oxocyclobutyl)amino]-7-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 4-[(3-oxocyclobutyl)amino]-7-(trifluoromethyl)-1H-quinolin-2-one is O=C1CC(Nc2cc(=O)[nH]c3cc(C(F)(F)F)ccc23)C1.
What is the InChIKey of 4-[(3-oxocyclobutyl)amino]-7-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is WTGYTBWTYMVUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)7-1-2-10-11(3-7)19-13(21)6-12(10)18-8-4-9(20)5-8/h1-3,6,8H,4-5H2,(H2,18,19,21).
What are the key properties of 4-[(3-oxocyclobutyl)amino]-7-(trifluoromethyl)-1H-quinolin-2-one?
4-[(3-oxocyclobutyl)amino]-7-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 296.25 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-oxocyclobutyl)amino]-7-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 175707358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).