[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate

C24H20N2O4 — CID 7395378

IUPAC[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESC[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)NCc1ccccc1
InChIInChI=1S/C24H20N2O4/c1-16(23(27)25-15-17-8-3-2-4-9-17)30-24(28)19-14-21(22-12-7-13-29-22)26-20-11-6-5-10-18(19)20/h2-14,16H,15H2,1H3,(H,25,27)/t16-/m1/s1
InChIKeyBIJONTHFFDSQGB-MRXNPFEDSA-N
MW400.43 g/mol
LogP4.36
Rot. Bonds6

About [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate

[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 7395378) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID7395378
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESC[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)NCc1ccccc1
InChIInChI=1S/C24H20N2O4/c1-16(23(27)25-15-17-8-3-2-4-9-17)30-24(28)19-14-21(22-12-7-13-29-22)26-20-11-6-5-10-18(19)20/h2-14,16H,15H2,1H3,(H,25,27)/t16-/m1/s1
InChIKeyBIJONTHFFDSQGB-MRXNPFEDSA-N
XLogP4.36
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395384
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505811
N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505812
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825289
[1-(benzylamino)-1-oxopropan-2-yl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 55352331
[(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-(benzylamino)-1-oxopropan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate
CID 30339118
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 9009492
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2364634
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-propan-2-ylquinoline-4-carboxylate
CID 27803201
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2638176
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825285

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate (CID 7395378) is [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate is C[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)NCc1ccccc1.
What is the InChIKey of [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is BIJONTHFFDSQGB-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-16(23(27)25-15-17-8-3-2-4-9-17)30-24(28)19-14-21(22-12-7-13-29-22)26-20-11-6-5-10-18(19)20/h2-14,16H,15H2,1H3,(H,25,27)/t16-/m1/s1.
What are the key properties of [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate?
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 400.43 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 7395378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).