5-(2-methylpropylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C14H19F3N2O — CID 156504691

IUPAC5-(2-methylpropylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(C)CNC1CCCc2[nH]c(=O)cc(C(F)(F)F)c21
InChIInChI=1S/C14H19F3N2O/c1-8(2)7-18-10-4-3-5-11-13(10)9(14(15,16)17)6-12(20)19-11/h6,8,10,18H,3-5,7H2,1-2H3,(H,19,20)
InChIKeyWXIFGQOVRCOTDH-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.02
Rot. Bonds3

About 5-(2-methylpropylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-(2-methylpropylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 156504691) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-(2-methylpropylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(2-methylpropylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID156504691
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name5-(2-methylpropylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(C)CNC1CCCc2[nH]c(=O)cc(C(F)(F)F)c21
InChIInChI=1S/C14H19F3N2O/c1-8(2)7-18-10-4-3-5-11-13(10)9(14(15,16)17)6-12(20)19-11/h6,8,10,18H,3-5,7H2,1-2H3,(H,19,20)
InChIKeyWXIFGQOVRCOTDH-UHFFFAOYSA-N
XLogP3.02
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(2-methylpropylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 156504691) is 5-(2-methylpropylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(2-methylpropylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(2-methylpropylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one is CC(C)CNC1CCCc2[nH]c(=O)cc(C(F)(F)F)c21.
What is the InChIKey of 5-(2-methylpropylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is WXIFGQOVRCOTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-8(2)7-18-10-4-3-5-11-13(10)9(14(15,16)17)6-12(20)19-11/h6,8,10,18H,3-5,7H2,1-2H3,(H,19,20).
What are the key properties of 5-(2-methylpropylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(2-methylpropylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 288.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 156504691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).