2-[(2S)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide

C11H12N2O2 — CID 68879518

IUPAC2-[(2S)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide
SMILESNC(=O)C[C@@H]1CC(=O)c2ccccc2N1
InChIInChI=1S/C11H12N2O2/c12-11(15)6-7-5-10(14)8-3-1-2-4-9(8)13-7/h1-4,7,13H,5-6H2,(H2,12,15)/t7-/m0/s1
InChIKeyVEVMRAFRJBYYHW-ZETCQYMHSA-N
MW204.23 g/mol
LogP0.93
Rot. Bonds2

About 2-[(2S)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide

2-[(2S)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide (PubChem CID 68879518) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[(2S)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide
PubChem CID68879518
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-[(2S)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide
SMILESNC(=O)C[C@@H]1CC(=O)c2ccccc2N1
InChIInChI=1S/C11H12N2O2/c12-11(15)6-7-5-10(14)8-3-1-2-4-9(8)13-7/h1-4,7,13H,5-6H2,(H2,12,15)/t7-/m0/s1
InChIKeyVEVMRAFRJBYYHW-ZETCQYMHSA-N
XLogP0.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide?
The IUPAC name of 2-[(2S)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide (CID 68879518) is 2-[(2S)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide.
What is the SMILES notation for 2-[(2S)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide?
The canonical SMILES for 2-[(2S)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide is NC(=O)C[C@@H]1CC(=O)c2ccccc2N1.
What is the InChIKey of 2-[(2S)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide?
The InChIKey is VEVMRAFRJBYYHW-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-11(15)6-7-5-10(14)8-3-1-2-4-9(8)13-7/h1-4,7,13H,5-6H2,(H2,12,15)/t7-/m0/s1.
What are the key properties of 2-[(2S)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide?
2-[(2S)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide has a molecular weight of 204.23 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide is sourced from PubChem (CID 68879518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).