5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C12H15F3N2O2 — CID 103778738

IUPAC5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCC(O)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)10(18)6-16-8-2-1-3-9-7(8)4-5-11(19)17-9/h4-5,8,10,16,18H,1-3,6H2,(H,17,19)
InChIKeyRKUBTGMFMAWVIH-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.27
Rot. Bonds3

About 5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 103778738) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID103778738
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCC(O)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)10(18)6-16-8-2-1-3-9-7(8)4-5-11(19)17-9/h4-5,8,10,16,18H,1-3,6H2,(H,17,19)
InChIKeyRKUBTGMFMAWVIH-UHFFFAOYSA-N
XLogP1.27
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid
CID 118744520
5-(3-hydroxypropylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 156504664
N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 56813120
5-Amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 81104349
5-[2-(2,2,2-trifluoroethoxy)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81107454
5-(3,3,3-trifluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81107584
5-(2,2,2-trifluoroethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81109227
5-(Methylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 81115087
5-(4,4,4-trifluorobutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81343566
5-(2,2,2-trifluoroethoxyamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82710542
N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95596131
N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95596132

Frequently Asked Questions

What is the IUPAC name of 5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 103778738) is 5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCCC2NCC(O)C(F)(F)F.
What is the InChIKey of 5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is RKUBTGMFMAWVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)10(18)6-16-8-2-1-3-9-7(8)4-5-11(19)17-9/h4-5,8,10,16,18H,1-3,6H2,(H,17,19).
What are the key properties of 5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 276.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 103778738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).