[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] quinoline-2-carboxylate

C16H15N3O4 — CID 18090773

IUPAC[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] quinoline-2-carboxylate
SMILESCC(OC(=O)c1ccc2ccccc2n1)C(=O)N1CCNC1=O
InChIInChI=1S/C16H15N3O4/c1-10(14(20)19-9-8-17-16(19)22)23-15(21)13-7-6-11-4-2-3-5-12(11)18-13/h2-7,10H,8-9H2,1H3,(H,17,22)
InChIKeyRPFKWSPUAYQLKJ-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.33
Rot. Bonds3

About [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] quinoline-2-carboxylate

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] quinoline-2-carboxylate (PubChem CID 18090773) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] quinoline-2-carboxylate
PubChem CID18090773
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] quinoline-2-carboxylate
SMILESCC(OC(=O)c1ccc2ccccc2n1)C(=O)N1CCNC1=O
InChIInChI=1S/C16H15N3O4/c1-10(14(20)19-9-8-17-16(19)22)23-15(21)13-7-6-11-4-2-3-5-12(11)18-13/h2-7,10H,8-9H2,1H3,(H,17,22)
InChIKeyRPFKWSPUAYQLKJ-UHFFFAOYSA-N
XLogP1.33
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-methylpyrazine-2-carboxylate
CID 18090871
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate
CID 8976431
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate
CID 38624577
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate
CID 8639256
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate
CID 18090807
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8991917
but-3-yn-2-yl quinoline-2-carboxylate
CID 71987794
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-iodobenzoate
CID 18090831
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 8997219
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(dimethylamino)benzoate
CID 18090949
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-difluorobenzoate
CID 8728241
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 802454

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] quinoline-2-carboxylate?
The IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] quinoline-2-carboxylate (CID 18090773) is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] quinoline-2-carboxylate.
What is the SMILES notation for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] quinoline-2-carboxylate?
The canonical SMILES for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] quinoline-2-carboxylate is CC(OC(=O)c1ccc2ccccc2n1)C(=O)N1CCNC1=O.
What is the InChIKey of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] quinoline-2-carboxylate?
The InChIKey is RPFKWSPUAYQLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-10(14(20)19-9-8-17-16(19)22)23-15(21)13-7-6-11-4-2-3-5-12(11)18-13/h2-7,10H,8-9H2,1H3,(H,17,22).
What are the key properties of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] quinoline-2-carboxylate?
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] quinoline-2-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] quinoline-2-carboxylate is sourced from PubChem (CID 18090773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).