N-(2-fluorophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C21H19FN2O2S — CID 3157824

IUPACN-(2-fluorophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2F)C(c2cccs2)C2=C(CCCC2=O)N1
InChIInChI=1S/C21H19FN2O2S/c1-12-18(21(26)24-14-7-3-2-6-13(14)22)20(17-10-5-11-27-17)19-15(23-12)8-4-9-16(19)25/h2-3,5-7,10-11,20,23H,4,8-9H2,1H3,(H,24,26)
InChIKeyOUSUFQYKJFBGFT-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.49
Rot. Bonds3

About N-(2-fluorophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-(2-fluorophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 3157824) has the molecular formula C21H19FN2O2S and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID3157824
Molecular FormulaC21H19FN2O2S
Molecular Weight382.46 g/mol
Exact Mass382.12
IUPAC NameN-(2-fluorophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2F)C(c2cccs2)C2=C(CCCC2=O)N1
InChIInChI=1S/C21H19FN2O2S/c1-12-18(21(26)24-14-7-3-2-6-13(14)22)20(17-10-5-11-27-17)19-15(23-12)8-4-9-16(19)25/h2-3,5-7,10-11,20,23H,4,8-9H2,1H3,(H,24,26)
InChIKeyOUSUFQYKJFBGFT-UHFFFAOYSA-N
XLogP4.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-fluorophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

1-(2-fluorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 3326392
N-(3-fluoro-4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 4790904
7,7-Dimethyl-1-phenyl-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 4543609
N-(3-Fluorophenyl)-2,7,7-trimethyl-5-oxo-4-(3-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 2901278
2-Amino-5-oxo-1-phenyl-4-thien-2-yl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 3237571
7,7-Dimethyl-1-(4-methylphenyl)-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 3965311
2-Fluoro-N-[4-(3-thiophen-2-yl-acryloyl)-phenyl]-benzamide
CID 5760486
1-(4-fluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 3268929
1-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 3236214
1-(4-fluorophenyl)-7,7-dimethyl-4-(3-thienyl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione
CID 3658297
2,6-dimethyl-N,N'-diphenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide
CID 1419901
N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylsulfanyl)-3-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 4101117

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 3157824) is N-(2-fluorophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccc2F)C(c2cccs2)C2=C(CCCC2=O)N1.
What is the InChIKey of N-(2-fluorophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is OUSUFQYKJFBGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2S/c1-12-18(21(26)24-14-7-3-2-6-13(14)22)20(17-10-5-11-27-17)19-15(23-12)8-4-9-16(19)25/h2-3,5-7,10-11,20,23H,4,8-9H2,1H3,(H,24,26).
What are the key properties of N-(2-fluorophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-(2-fluorophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3157824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).