3-amino-4-ethenyl-6-(trifluoromethyl)-1H-quinolin-2-one

C12H9F3N2O — CID 90950544

IUPAC3-amino-4-ethenyl-6-(trifluoromethyl)-1H-quinolin-2-one
SMILESC=Cc1c(N)c(=O)[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C12H9F3N2O/c1-2-7-8-5-6(12(13,14)15)3-4-9(8)17-11(18)10(7)16/h2-5H,1,16H2,(H,17,18)
InChIKeyMMJCTSQIGKTYER-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.77
Rot. Bonds1

About 3-amino-4-ethenyl-6-(trifluoromethyl)-1H-quinolin-2-one

3-amino-4-ethenyl-6-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 90950544) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 3-amino-4-ethenyl-6-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-amino-4-ethenyl-6-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID90950544
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name3-amino-4-ethenyl-6-(trifluoromethyl)-1H-quinolin-2-one
SMILESC=Cc1c(N)c(=O)[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C12H9F3N2O/c1-2-7-8-5-6(12(13,14)15)3-4-9(8)17-11(18)10(7)16/h2-5H,1,16H2,(H,17,18)
InChIKeyMMJCTSQIGKTYER-UHFFFAOYSA-N
XLogP2.77
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethenyl-6-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 3-amino-4-ethenyl-6-(trifluoromethyl)-1H-quinolin-2-one (CID 90950544) is 3-amino-4-ethenyl-6-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-amino-4-ethenyl-6-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 3-amino-4-ethenyl-6-(trifluoromethyl)-1H-quinolin-2-one is C=Cc1c(N)c(=O)[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 3-amino-4-ethenyl-6-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is MMJCTSQIGKTYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c1-2-7-8-5-6(12(13,14)15)3-4-9(8)17-11(18)10(7)16/h2-5H,1,16H2,(H,17,18).
What are the key properties of 3-amino-4-ethenyl-6-(trifluoromethyl)-1H-quinolin-2-one?
3-amino-4-ethenyl-6-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 254.21 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethenyl-6-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 90950544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).