7-amino-6-ethyl-4-(trifluoromethyl)-1H-quinolin-2-one

C12H11F3N2O — CID 22279268

IUPAC7-amino-6-ethyl-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N
InChIInChI=1S/C12H11F3N2O/c1-2-6-3-7-8(12(13,14)15)4-11(18)17-10(7)5-9(6)16/h3-5H,2,16H2,1H3,(H,17,18)
InChIKeyZBIQQSQATQLTTL-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.69
Rot. Bonds1

About 7-amino-6-ethyl-4-(trifluoromethyl)-1H-quinolin-2-one

7-amino-6-ethyl-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279268) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 7-amino-6-ethyl-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-ethyl-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279268
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name7-amino-6-ethyl-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N
InChIInChI=1S/C12H11F3N2O/c1-2-6-3-7-8(12(13,14)15)4-11(18)17-10(7)5-9(6)16/h3-5H,2,16H2,1H3,(H,17,18)
InChIKeyZBIQQSQATQLTTL-UHFFFAOYSA-N
XLogP2.69
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-ethyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-ethyl-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279268) is 7-amino-6-ethyl-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-ethyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-ethyl-4-(trifluoromethyl)-1H-quinolin-2-one is CCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N.
What is the InChIKey of 7-amino-6-ethyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is ZBIQQSQATQLTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-2-6-3-7-8(12(13,14)15)4-11(18)17-10(7)5-9(6)16/h3-5H,2,16H2,1H3,(H,17,18).
What are the key properties of 7-amino-6-ethyl-4-(trifluoromethyl)-1H-quinolin-2-one?
7-amino-6-ethyl-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 256.23 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-ethyl-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).