[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate

C24H18FN3O4S — CID 26804363

IUPAC[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate
SMILESC[C@@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C24H18FN3O4S/c1-13(22(30)28-23-17(21(26)29)10-11-33-23)32-24(31)18-12-20(14-6-8-15(25)9-7-14)27-19-5-3-2-4-16(18)19/h2-13H,1H3,(H2,26,29)(H,28,30)/t13-/m1/s1
InChIKeyFRLNZEPJKJOYNV-CYBMUJFWSA-N
MW463.49 g/mol
LogP4.39
Rot. Bonds6

About [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate

[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate (PubChem CID 26804363) has the molecular formula C24H18FN3O4S and a molecular weight of 463.49 g/mol. Its IUPAC name is [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate
PubChem CID26804363
Molecular FormulaC24H18FN3O4S
Molecular Weight463.49 g/mol
Exact Mass463.10
IUPAC Name[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate
SMILESC[C@@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C24H18FN3O4S/c1-13(22(30)28-23-17(21(26)29)10-11-33-23)32-24(31)18-12-20(14-6-8-15(25)9-7-14)27-19-5-3-2-4-16(18)19/h2-13H,1H3,(H2,26,29)(H,28,30)/t13-/m1/s1
InChIKeyFRLNZEPJKJOYNV-CYBMUJFWSA-N
XLogP4.39
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 7825067
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 30394729
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 46658984
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 41090633
N-(3-carbamoylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 2108810
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-amino-4-fluorobenzoate
CID 17392567
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825289
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] benzoate
CID 25387908
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 26920083
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 16522008
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135766643
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 7866906

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate?
The IUPAC name of [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate (CID 26804363) is [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate?
The canonical SMILES for [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate is C[C@@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate?
The InChIKey is FRLNZEPJKJOYNV-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H18FN3O4S/c1-13(22(30)28-23-17(21(26)29)10-11-33-23)32-24(31)18-12-20(14-6-8-15(25)9-7-14)27-19-5-3-2-4-16(18)19/h2-13H,1H3,(H2,26,29)(H,28,30)/t13-/m1/s1.
What are the key properties of [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate?
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate has a molecular weight of 463.49 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 26804363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).