4-methyl-6-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one

C16H19F3N2O — CID 23648070

IUPAC4-methyl-6-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccc(N(CC(C)C)CC(F)(F)F)cc12
InChIInChI=1S/C16H19F3N2O/c1-10(2)8-21(9-16(17,18)19)12-4-5-14-13(7-12)11(3)6-15(22)20-14/h4-7,10H,8-9H2,1-3H3,(H,20,22)
InChIKeyOOOLNPUNGQAGSY-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.86
Rot. Bonds4

About 4-methyl-6-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one

4-methyl-6-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one (PubChem CID 23648070) has the molecular formula C16H19F3N2O and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-methyl-6-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-methyl-6-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one
PubChem CID23648070
Molecular FormulaC16H19F3N2O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC Name4-methyl-6-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccc(N(CC(C)C)CC(F)(F)F)cc12
InChIInChI=1S/C16H19F3N2O/c1-10(2)8-21(9-16(17,18)19)12-4-5-14-13(7-12)11(3)6-15(22)20-14/h4-7,10H,8-9H2,1-3H3,(H,20,22)
InChIKeyOOOLNPUNGQAGSY-UHFFFAOYSA-N
XLogP3.86
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one?
The IUPAC name of 4-methyl-6-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one (CID 23648070) is 4-methyl-6-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one.
What is the SMILES notation for 4-methyl-6-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one?
The canonical SMILES for 4-methyl-6-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one is Cc1cc(=O)[nH]c2ccc(N(CC(C)C)CC(F)(F)F)cc12.
What is the InChIKey of 4-methyl-6-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one?
The InChIKey is OOOLNPUNGQAGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c1-10(2)8-21(9-16(17,18)19)12-4-5-14-13(7-12)11(3)6-15(22)20-14/h4-7,10H,8-9H2,1-3H3,(H,20,22).
What are the key properties of 4-methyl-6-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one?
4-methyl-6-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one has a molecular weight of 312.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one is sourced from PubChem (CID 23648070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).