N-[(1R)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide

C18H19FN2O2S — CID 94820255

IUPACN-[(1R)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)N[C@H](CC(=O)N1CCCc2ccc(F)cc21)c1cccs1
InChIInChI=1S/C18H19FN2O2S/c1-12(22)20-15(17-5-3-9-24-17)11-18(23)21-8-2-4-13-6-7-14(19)10-16(13)21/h3,5-7,9-10,15H,2,4,8,11H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyMASYFIYXCKPZAZ-OAHLLOKOSA-N
MW346.43 g/mol
LogP3.43
Rot. Bonds4

About N-[(1R)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide

N-[(1R)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide (PubChem CID 94820255) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(1R)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
PubChem CID94820255
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC NameN-[(1R)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)N[C@H](CC(=O)N1CCCc2ccc(F)cc21)c1cccs1
InChIInChI=1S/C18H19FN2O2S/c1-12(22)20-15(17-5-3-9-24-17)11-18(23)21-8-2-4-13-6-7-14(19)10-16(13)21/h3,5-7,9-10,15H,2,4,8,11H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyMASYFIYXCKPZAZ-OAHLLOKOSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide with MolForge

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Related Compounds

N-[3-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 47029823
N-[1-(4-chlorophenyl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 55971151
N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 47024797
(3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 51929437
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 46817528
N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide
CID 47017273
(3S)-5-[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 97354721
1-(6-fluoro-2,3-dihydroindol-1-yl)-3,4,4-trimethylpentan-1-one
CID 86901344
N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 94017783
tert-butyl (2S)-2-[(2R)-1-[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 52500324
N-[(1S)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 41430751
(2S)-4-[(3S)-3-acetamido-3-thiophen-2-ylpropanoyl]-N,N-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 30176278

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The IUPAC name of N-[(1R)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide (CID 94820255) is N-[(1R)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide.
What is the SMILES notation for N-[(1R)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The canonical SMILES for N-[(1R)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide is CC(=O)N[C@H](CC(=O)N1CCCc2ccc(F)cc21)c1cccs1.
What is the InChIKey of N-[(1R)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The InChIKey is MASYFIYXCKPZAZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c1-12(22)20-15(17-5-3-9-24-17)11-18(23)21-8-2-4-13-6-7-14(19)10-16(13)21/h3,5-7,9-10,15H,2,4,8,11H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of N-[(1R)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide?
N-[(1R)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide is sourced from PubChem (CID 94820255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).