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

C14H15F3N2O — CID 22279130

IUPAC7-amino-6-butan-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCC(C)c1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N
InChIInChI=1S/C14H15F3N2O/c1-3-7(2)8-4-9-10(14(15,16)17)5-13(20)19-12(9)6-11(8)18/h4-7H,3,18H2,1-2H3,(H,19,20)
InChIKeyYUWKVMXGTKIENL-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.64
Rot. Bonds2

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

7-amino-6-butan-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279130) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 7-amino-6-butan-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-butan-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279130
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name7-amino-6-butan-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCC(C)c1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N
InChIInChI=1S/C14H15F3N2O/c1-3-7(2)8-4-9-10(14(15,16)17)5-13(20)19-12(9)6-11(8)18/h4-7H,3,18H2,1-2H3,(H,19,20)
InChIKeyYUWKVMXGTKIENL-UHFFFAOYSA-N
XLogP3.64
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.64
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-butan-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-butan-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279130) is 7-amino-6-butan-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-butan-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-butan-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one is CCC(C)c1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N.
What is the InChIKey of 7-amino-6-butan-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is YUWKVMXGTKIENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-3-7(2)8-4-9-10(14(15,16)17)5-13(20)19-12(9)6-11(8)18/h4-7H,3,18H2,1-2H3,(H,19,20).
What are the key properties of 7-amino-6-butan-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one?
7-amino-6-butan-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 284.28 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-butan-2-yl-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).