5-(3,3,3-trifluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C12H15F3N2O — CID 81107584

IUPAC5-(3,3,3-trifluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCCC(F)(F)F
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)6-7-16-9-2-1-3-10-8(9)4-5-11(18)17-10/h4-5,9,16H,1-3,6-7H2,(H,17,18)
InChIKeyXETDOHBWBICCRD-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.29
Rot. Bonds3

About 5-(3,3,3-trifluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-(3,3,3-trifluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 81107584) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID81107584
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name5-(3,3,3-trifluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCCC(F)(F)F
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)6-7-16-9-2-1-3-10-8(9)4-5-11(18)17-10/h4-5,9,16H,1-3,6-7H2,(H,17,18)
InChIKeyXETDOHBWBICCRD-UHFFFAOYSA-N
XLogP2.29
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(3,3,3-trifluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 81107584) is 5-(3,3,3-trifluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(3,3,3-trifluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(3,3,3-trifluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCCC2NCCC(F)(F)F.
What is the InChIKey of 5-(3,3,3-trifluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is XETDOHBWBICCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)6-7-16-9-2-1-3-10-8(9)4-5-11(18)17-10/h4-5,9,16H,1-3,6-7H2,(H,17,18).
What are the key properties of 5-(3,3,3-trifluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(3,3,3-trifluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 260.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 81107584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).