[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

C15H15N3O4 — CID 96524560

IUPAC[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESCc1nnc([C@H](C)OC(=O)[C@@H]2CC(=O)Nc3ccccc32)o1
InChIInChI=1S/C15H15N3O4/c1-8(14-18-17-9(2)22-14)21-15(20)11-7-13(19)16-12-6-4-3-5-10(11)12/h3-6,8,11H,7H2,1-2H3,(H,16,19)/t8-,11+/m0/s1
InChIKeyPTGKNBCRYCDPFY-GZMMTYOYSA-N
MW301.30 g/mol
LogP2.11
Rot. Bonds3

About [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (PubChem CID 96524560) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
PubChem CID96524560
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESCc1nnc([C@H](C)OC(=O)[C@@H]2CC(=O)Nc3ccccc32)o1
InChIInChI=1S/C15H15N3O4/c1-8(14-18-17-9(2)22-14)21-15(20)11-7-13(19)16-12-6-4-3-5-10(11)12/h3-6,8,11H,7H2,1-2H3,(H,16,19)/t8-,11+/m0/s1
InChIKeyPTGKNBCRYCDPFY-GZMMTYOYSA-N
XLogP2.11
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The IUPAC name of [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (CID 96524560) is [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.
What is the SMILES notation for [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The canonical SMILES for [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is Cc1nnc([C@H](C)OC(=O)[C@@H]2CC(=O)Nc3ccccc32)o1.
What is the InChIKey of [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The InChIKey is PTGKNBCRYCDPFY-GZMMTYOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-8(14-18-17-9(2)22-14)21-15(20)11-7-13(19)16-12-6-4-3-5-10(11)12/h3-6,8,11H,7H2,1-2H3,(H,16,19)/t8-,11+/m0/s1.
What are the key properties of [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate has a molecular weight of 301.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] (4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is sourced from PubChem (CID 96524560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).