ethyl 5-carbamoyl-2-[[2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate

C21H24FN3O4S — CID 27527116

IUPACethyl 5-carbamoyl-2-[[2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2c3ccc(F)cc3CC[C@H]2C)sc(C(N)=O)c1C
InChIInChI=1S/C21H24FN3O4S/c1-4-29-21(28)17-12(3)18(19(23)27)30-20(17)24-16(26)10-25-11(2)5-6-13-9-14(22)7-8-15(13)25/h7-9,11H,4-6,10H2,1-3H3,(H2,23,27)(H,24,26)/t11-/m1/s1
InChIKeyZQHYQMHXCWTRMA-LLVKDONJSA-N
MW433.51 g/mol
LogP3.25
Rot. Bonds6

About ethyl 5-carbamoyl-2-[[2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate

ethyl 5-carbamoyl-2-[[2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate (PubChem CID 27527116) has the molecular formula C21H24FN3O4S and a molecular weight of 433.51 g/mol. Its IUPAC name is ethyl 5-carbamoyl-2-[[2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-carbamoyl-2-[[2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate
PubChem CID27527116
Molecular FormulaC21H24FN3O4S
Molecular Weight433.51 g/mol
Exact Mass433.15
IUPAC Nameethyl 5-carbamoyl-2-[[2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2c3ccc(F)cc3CC[C@H]2C)sc(C(N)=O)c1C
InChIInChI=1S/C21H24FN3O4S/c1-4-29-21(28)17-12(3)18(19(23)27)30-20(17)24-16(26)10-25-11(2)5-6-13-9-14(22)7-8-15(13)25/h7-9,11H,4-6,10H2,1-3H3,(H2,23,27)(H,24,26)/t11-/m1/s1
InChIKeyZQHYQMHXCWTRMA-LLVKDONJSA-N
XLogP3.25
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 5-carbamoyl-2-[[2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 22198873
ethyl 5-ethyl-2-[[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22198887
2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 2612686
ethyl 5-carbamoyl-4-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 17379662
propan-2-yl 5-carbamoyl-4-methyl-2-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22199968
ethyl 5-carbamoyl-2-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]-4-methylthiophene-3-carboxylate
CID 4844262
methyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 5170358
ethyl 5-carbamoyl-2-[[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate
CID 17378557
ethyl 5-carbamoyl-2-[[2-[2-(3-fluorophenyl)propanoyloxy]acetyl]amino]-4-methylthiophene-3-carboxylate
CID 166217152
ethyl 2-[[2-(3-anilinopyrrolidin-1-yl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 154858642
diethyl 5-[[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 22194456
ethyl 5-carbamoyl-2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylthiophene-3-carboxylate
CID 17376108

Frequently Asked Questions

What is the IUPAC name of ethyl 5-carbamoyl-2-[[2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 5-carbamoyl-2-[[2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate (CID 27527116) is ethyl 5-carbamoyl-2-[[2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-carbamoyl-2-[[2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 5-carbamoyl-2-[[2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CN2c3ccc(F)cc3CC[C@H]2C)sc(C(N)=O)c1C.
What is the InChIKey of ethyl 5-carbamoyl-2-[[2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate?
The InChIKey is ZQHYQMHXCWTRMA-LLVKDONJSA-N. The full InChI is InChI=1S/C21H24FN3O4S/c1-4-29-21(28)17-12(3)18(19(23)27)30-20(17)24-16(26)10-25-11(2)5-6-13-9-14(22)7-8-15(13)25/h7-9,11H,4-6,10H2,1-3H3,(H2,23,27)(H,24,26)/t11-/m1/s1.
What are the key properties of ethyl 5-carbamoyl-2-[[2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate?
ethyl 5-carbamoyl-2-[[2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-carbamoyl-2-[[2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 27527116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).