6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

C13H13F3N2O — CID 10199303

IUPAC6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC(C)Nc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C13H13F3N2O/c1-7(2)17-8-3-4-11-9(5-8)10(13(14,15)16)6-12(19)18-11/h3-7,17H,1-2H3,(H,18,19)
InChIKeyJJEZTPUKKJWQRO-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.37
Rot. Bonds2

About 6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 10199303) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID10199303
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC(C)Nc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C13H13F3N2O/c1-7(2)17-8-3-4-11-9(5-8)10(13(14,15)16)6-12(19)18-11/h3-7,17H,1-2H3,(H,18,19)
InChIKeyJJEZTPUKKJWQRO-UHFFFAOYSA-N
XLogP3.37
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 10199303) is 6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is CC(C)Nc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1.
What is the InChIKey of 6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is JJEZTPUKKJWQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-7(2)17-8-3-4-11-9(5-8)10(13(14,15)16)6-12(19)18-11/h3-7,17H,1-2H3,(H,18,19).
What are the key properties of 6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 270.25 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 10199303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).