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

C13H13F3N2O — CID 22279031

IUPAC7-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC(C)Nc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1
InChIInChI=1S/C13H13F3N2O/c1-7(2)17-8-3-4-9-10(13(14,15)16)6-12(19)18-11(9)5-8/h3-7,17H,1-2H3,(H,18,19)
InChIKeyFRLQASMEECZSGV-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.37
Rot. Bonds2

About 7-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

7-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279031) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 7-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279031
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name7-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC(C)Nc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1
InChIInChI=1S/C13H13F3N2O/c1-7(2)17-8-3-4-9-10(13(14,15)16)6-12(19)18-11(9)5-8/h3-7,17H,1-2H3,(H,18,19)
InChIKeyFRLQASMEECZSGV-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 7-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279031) is 7-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is CC(C)Nc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1.
What is the InChIKey of 7-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is FRLQASMEECZSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-7(2)17-8-3-4-9-10(13(14,15)16)6-12(19)18-11(9)5-8/h3-7,17H,1-2H3,(H,18,19).
What are the key properties of 7-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
7-(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 7-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).