N-[(2S,4S)-6-fluoro-2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-methylacetamide

C16H17FN2O2 — CID 139216093

IUPACN-[(2S,4S)-6-fluoro-2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@H]1C[C@@H](c2ccco2)Nc2ccc(F)cc21
InChIInChI=1S/C16H17FN2O2/c1-10(20)19(2)15-9-14(16-4-3-7-21-16)18-13-6-5-11(17)8-12(13)15/h3-8,14-15,18H,9H2,1-2H3/t14-,15-/m0/s1
InChIKeyLJZMOQABZDBTAG-GJZGRUSLSA-N
MW288.32 g/mol
LogP3.49
Rot. Bonds2

About N-[(2S,4S)-6-fluoro-2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-methylacetamide

N-[(2S,4S)-6-fluoro-2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-methylacetamide (PubChem CID 139216093) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[(2S,4S)-6-fluoro-2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2S,4S)-6-fluoro-2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-methylacetamide
PubChem CID139216093
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[(2S,4S)-6-fluoro-2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@H]1C[C@@H](c2ccco2)Nc2ccc(F)cc21
InChIInChI=1S/C16H17FN2O2/c1-10(20)19(2)15-9-14(16-4-3-7-21-16)18-13-6-5-11(17)8-12(13)15/h3-8,14-15,18H,9H2,1-2H3/t14-,15-/m0/s1
InChIKeyLJZMOQABZDBTAG-GJZGRUSLSA-N
XLogP3.49
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S,4S)-6-fluoro-2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-methylacetamide with MolForge

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Related Compounds

Propan-2-Yl ~{n}-[(2~{s},4~{r})-1-Ethanoyl-6-(Furan-2-Yl)-2-Methyl-3,4-Dihydro-2~{h}-Quinolin-4-Yl]carbamate
CID 122235215
3-(2-Furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 2928530
N-(2-furylmethyl)-7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide
CID 54683810
3-[1-{2-[(2-cyclohex-1-en-1-ylethyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-(2-furylmethyl)propanamide
CID 3242228
N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 829463
Butyl 4-[[2-(furan-2-ylmethylamino)-2-oxoacetyl]amino]benzoate
CID 1903239
3-(dimethylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 4803621
N-cyclopropyl-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
CID 9204530
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 16333232
N-(furan-2-ylmethyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 17581795
3-fluoro-N-(2-(furan-2-yl)-2-(indolin-1-yl)ethyl)benzamide
CID 18577474
4-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 24240781

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-6-fluoro-2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-methylacetamide?
The IUPAC name of N-[(2S,4S)-6-fluoro-2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-methylacetamide (CID 139216093) is N-[(2S,4S)-6-fluoro-2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[(2S,4S)-6-fluoro-2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[(2S,4S)-6-fluoro-2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-methylacetamide is CC(=O)N(C)[C@H]1C[C@@H](c2ccco2)Nc2ccc(F)cc21.
What is the InChIKey of N-[(2S,4S)-6-fluoro-2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-methylacetamide?
The InChIKey is LJZMOQABZDBTAG-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10(20)19(2)15-9-14(16-4-3-7-21-16)18-13-6-5-11(17)8-12(13)15/h3-8,14-15,18H,9H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of N-[(2S,4S)-6-fluoro-2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-methylacetamide?
N-[(2S,4S)-6-fluoro-2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-methylacetamide has a molecular weight of 288.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-6-fluoro-2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-methylacetamide is sourced from PubChem (CID 139216093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).