6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

C15H17F3N2O — CID 22279219

IUPAC6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCC(CC)Nc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C15H17F3N2O/c1-3-9(4-2)19-10-5-6-13-11(7-10)12(15(16,17)18)8-14(21)20-13/h5-9,19H,3-4H2,1-2H3,(H,20,21)
InChIKeyXWWKPHJHVFTFKN-UHFFFAOYSA-N
MW298.31 g/mol
LogP4.15
Rot. Bonds4

About 6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279219) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279219
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCC(CC)Nc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C15H17F3N2O/c1-3-9(4-2)19-10-5-6-13-11(7-10)12(15(16,17)18)8-14(21)20-13/h5-9,19H,3-4H2,1-2H3,(H,20,21)
InChIKeyXWWKPHJHVFTFKN-UHFFFAOYSA-N
XLogP4.15
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279219) is 6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is CCC(CC)Nc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1.
What is the InChIKey of 6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is XWWKPHJHVFTFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-3-9(4-2)19-10-5-6-13-11(7-10)12(15(16,17)18)8-14(21)20-13/h5-9,19H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 298.31 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pentan-3-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).