5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2-carboxamide

C16H17F3N2O3 — CID 171830299

IUPAC5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc(C(F)(F)F)c2c(n1)CCCC2=O
InChIInChI=1S/C16H17F3N2O3/c17-16(18,19)10-7-12(15(23)20-8-9-3-2-6-24-9)21-11-4-1-5-13(22)14(10)11/h7,9H,1-6,8H2,(H,20,23)/t9-/m0/s1
InChIKeyAXWUWBJZOGGFMG-VIFPVBQESA-N
MW342.32 g/mol
LogP2.53
Rot. Bonds3

About 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2-carboxamide

5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2-carboxamide (PubChem CID 171830299) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2-carboxamide
PubChem CID171830299
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc(C(F)(F)F)c2c(n1)CCCC2=O
InChIInChI=1S/C16H17F3N2O3/c17-16(18,19)10-7-12(15(23)20-8-9-3-2-6-24-9)21-11-4-1-5-13(22)14(10)11/h7,9H,1-6,8H2,(H,20,23)/t9-/m0/s1
InChIKeyAXWUWBJZOGGFMG-VIFPVBQESA-N
XLogP2.53
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2-carboxamide with MolForge

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxamide
CID 171830319
2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109365945
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369165
1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109045666
5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 146080052
2-methyl-N-(oxolan-2-ylmethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360386
6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide
CID 110464461
N-(oxolan-2-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109343999
6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096177
3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109103988

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2-carboxamide?
The IUPAC name of 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2-carboxamide (CID 171830299) is 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2-carboxamide.
What is the SMILES notation for 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2-carboxamide?
The canonical SMILES for 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2-carboxamide is O=C(NC[C@@H]1CCCO1)c1cc(C(F)(F)F)c2c(n1)CCCC2=O.
What is the InChIKey of 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2-carboxamide?
The InChIKey is AXWUWBJZOGGFMG-VIFPVBQESA-N. The full InChI is InChI=1S/C16H17F3N2O3/c17-16(18,19)10-7-12(15(23)20-8-9-3-2-6-24-9)21-11-4-1-5-13(22)14(10)11/h7,9H,1-6,8H2,(H,20,23)/t9-/m0/s1.
What are the key properties of 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2-carboxamide?
5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2-carboxamide is sourced from PubChem (CID 171830299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).