6-[butan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one

C16H16F6N2O — CID 23648053

IUPAC6-[butan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCC(C)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C16H16F6N2O/c1-3-9(2)24(8-15(17,18)19)10-4-5-13-11(6-10)12(16(20,21)22)7-14(25)23-13/h4-7,9H,3,8H2,1-2H3,(H,23,25)
InChIKeyRGHUVUPNSICPDI-UHFFFAOYSA-N
MW366.31 g/mol
LogP4.71
Rot. Bonds4

About 6-[butan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one

6-[butan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 23648053) has the molecular formula C16H16F6N2O and a molecular weight of 366.31 g/mol. Its IUPAC name is 6-[butan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[butan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID23648053
Molecular FormulaC16H16F6N2O
Molecular Weight366.31 g/mol
Exact Mass366.12
IUPAC Name6-[butan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCC(C)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C16H16F6N2O/c1-3-9(2)24(8-15(17,18)19)10-4-5-13-11(6-10)12(16(20,21)22)7-14(25)23-13/h4-7,9H,3,8H2,1-2H3,(H,23,25)
InChIKeyRGHUVUPNSICPDI-UHFFFAOYSA-N
XLogP4.71
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[butan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-[butan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one (CID 23648053) is 6-[butan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-[butan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-[butan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one is CCC(C)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1.
What is the InChIKey of 6-[butan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is RGHUVUPNSICPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F6N2O/c1-3-9(2)24(8-15(17,18)19)10-4-5-13-11(6-10)12(16(20,21)22)7-14(25)23-13/h4-7,9H,3,8H2,1-2H3,(H,23,25).
What are the key properties of 6-[butan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
6-[butan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 366.31 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 23648053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).