N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide

C13H15F3N2O3 — CID 95596132

IUPACN-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)N[C@H]1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)7-21-6-12(20)18-10-3-1-2-9-8(10)4-5-11(19)17-9/h4-5,10H,1-3,6-7H2,(H,17,19)(H,18,20)/t10-/m0/s1
InChIKeyOSGVOESONYBZAT-JTQLQIEISA-N
MW304.27 g/mol
LogP1.45
Rot. Bonds4

About N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 95596132) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID95596132
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)N[C@H]1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)7-21-6-12(20)18-10-3-1-2-9-8(10)4-5-11(19)17-9/h4-5,10H,1-3,6-7H2,(H,17,19)(H,18,20)/t10-/m0/s1
InChIKeyOSGVOESONYBZAT-JTQLQIEISA-N
XLogP1.45
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 95596132) is N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)N[C@H]1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is OSGVOESONYBZAT-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)7-21-6-12(20)18-10-3-1-2-9-8(10)4-5-11(19)17-9/h4-5,10H,1-3,6-7H2,(H,17,19)(H,18,20)/t10-/m0/s1.
What are the key properties of N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 304.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 95596132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).