[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2,4-dimethylquinoline-3-carboxylate

C19H22N2O3 — CID 8825302

IUPAC[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
SMILESCc1nc2ccccc2c(C)c1C(=O)O[C@H](C)C(=O)N1CCCC1
InChIInChI=1S/C19H22N2O3/c1-12-15-8-4-5-9-16(15)20-13(2)17(12)19(23)24-14(3)18(22)21-10-6-7-11-21/h4-5,8-9,14H,6-7,10-11H2,1-3H3/t14-/m1/s1
InChIKeyMRNCWCMAXXKPLK-CQSZACIVSA-N
MW326.40 g/mol
LogP3.02
Rot. Bonds3

About [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2,4-dimethylquinoline-3-carboxylate

[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2,4-dimethylquinoline-3-carboxylate (PubChem CID 8825302) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2,4-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
PubChem CID8825302
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
SMILESCc1nc2ccccc2c(C)c1C(=O)O[C@H](C)C(=O)N1CCCC1
InChIInChI=1S/C19H22N2O3/c1-12-15-8-4-5-9-16(15)20-13(2)17(12)19(23)24-14(3)18(22)21-10-6-7-11-21/h4-5,8-9,14H,6-7,10-11H2,1-3H3/t14-/m1/s1
InChIKeyMRNCWCMAXXKPLK-CQSZACIVSA-N
XLogP3.02
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2,4-dimethylquinoline-3-carboxylate with MolForge

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Related Compounds

3-oxobutan-2-yl 2,4-dimethylquinoline-3-carboxylate
CID 18276143
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 8825300
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate
CID 8944516
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 8825277
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 30340313
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 7292207
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 18122595
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 9138130
(1-morpholin-4-yl-1-oxopropan-2-yl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16533571
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 55426792
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate
CID 30339243
[1-(azepan-1-yl)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 47011640

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2,4-dimethylquinoline-3-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2,4-dimethylquinoline-3-carboxylate (CID 8825302) is [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2,4-dimethylquinoline-3-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2,4-dimethylquinoline-3-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2,4-dimethylquinoline-3-carboxylate is Cc1nc2ccccc2c(C)c1C(=O)O[C@H](C)C(=O)N1CCCC1.
What is the InChIKey of [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2,4-dimethylquinoline-3-carboxylate?
The InChIKey is MRNCWCMAXXKPLK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-15-8-4-5-9-16(15)20-13(2)17(12)19(23)24-14(3)18(22)21-10-6-7-11-21/h4-5,8-9,14H,6-7,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2,4-dimethylquinoline-3-carboxylate?
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2,4-dimethylquinoline-3-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2,4-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 8825302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).