[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate

C20H19N3O5 — CID 7825285

IUPAC[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCC(C)[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)NC(N)=O
InChIInChI=1S/C20H19N3O5/c1-11(2)17(18(24)23-20(21)26)28-19(25)13-10-15(16-8-5-9-27-16)22-14-7-4-3-6-12(13)14/h3-11,17H,1-2H3,(H3,21,23,24,26)/t17-/m0/s1
InChIKeyBZQVXJCVFKOZOC-KRWDZBQOSA-N
MW381.39 g/mol
LogP2.87
Rot. Bonds5

About [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate

[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 7825285) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID7825285
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCC(C)[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)NC(N)=O
InChIInChI=1S/C20H19N3O5/c1-11(2)17(18(24)23-20(21)26)28-19(25)13-10-15(16-8-5-9-27-16)22-14-7-4-3-6-12(13)14/h3-11,17H,1-2H3,(H3,21,23,24,26)/t17-/m0/s1
InChIKeyBZQVXJCVFKOZOC-KRWDZBQOSA-N
XLogP2.87
TPSA124.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate with MolForge

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395384
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-chloroquinoline-4-carboxylate
CID 9009588
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395378
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825289
2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 134016603
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2638176
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16528721
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 8761815
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2364634
N-(1-amino-3-methyl-1-oxopentan-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 78773085
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2693378
[1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16568855

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate (CID 7825285) is [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate is CC(C)[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)NC(N)=O.
What is the InChIKey of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is BZQVXJCVFKOZOC-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-11(2)17(18(24)23-20(21)26)28-19(25)13-10-15(16-8-5-9-27-16)22-14-7-4-3-6-12(13)14/h3-11,17H,1-2H3,(H3,21,23,24,26)/t17-/m0/s1.
What are the key properties of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate?
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 381.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 7825285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).