6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane

C12H13F3N2O — CID 142046924

IUPAC6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane
SMILESCC.Nc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C10H7F3N2O.C2H6/c11-10(12,13)7-4-9(16)15-8-2-1-5(14)3-6(7)8;1-2/h1-4H,14H2,(H,15,16);1-2H3
InChIKeyONXPRUQJUYVCLP-UHFFFAOYSA-N
MW258.24 g/mol
LogP3.16
Rot. Bonds

About 6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane

6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane (PubChem CID 142046924) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane.

Molecular Properties

Compound Name6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane
PubChem CID142046924
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane
SMILESCC.Nc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C10H7F3N2O.C2H6/c11-10(12,13)7-4-9(16)15-8-2-1-5(14)3-6(7)8;1-2/h1-4H,14H2,(H,15,16);1-2H3
InChIKeyONXPRUQJUYVCLP-UHFFFAOYSA-N
XLogP3.16
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279021
6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 10199303
6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one
CID 18008402
6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279219
6-pent-2-en-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 90954001
6-diazenyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 85063749
2-methylpropyl-oxo-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]amino]azanium
CID 22279218
6-[(2S,5S)-2,5-dipropylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 141035214
methyl 6-amino-2-oxo-1H-quinoline-4-carboxylate
CID 125474812
(3-amino-3-oxopropyl) 2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonate
CID 87928102
6-[3-oxobutan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 122197407
N-methylpentan-2-amine;propane;6-sulfanyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 142942493

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane?
The IUPAC name of 6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane (CID 142046924) is 6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane.
What is the SMILES notation for 6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane?
The canonical SMILES for 6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane is CC.Nc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1.
What is the InChIKey of 6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane?
The InChIKey is ONXPRUQJUYVCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O.C2H6/c11-10(12,13)7-4-9(16)15-8-2-1-5(14)3-6(7)8;1-2/h1-4H,14H2,(H,15,16);1-2H3.
What are the key properties of 6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane?
6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane has a molecular weight of 258.24 g/mol, XLogP of 3.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane is sourced from PubChem (CID 142046924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).