3-(3-propan-2-yloxiran-2-yl)-1H-quinolin-2-one

C14H15NO2 — CID 135063873

IUPAC3-(3-propan-2-yloxiran-2-yl)-1H-quinolin-2-one
SMILESCC(C)C1OC1c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C14H15NO2/c1-8(2)12-13(17-12)10-7-9-5-3-4-6-11(9)15-14(10)16/h3-8,12-13H,1-2H3,(H,15,16)
InChIKeyQDRWLJMPBFVYNB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.62
Rot. Bonds2

About 3-(3-propan-2-yloxiran-2-yl)-1H-quinolin-2-one

3-(3-propan-2-yloxiran-2-yl)-1H-quinolin-2-one (PubChem CID 135063873) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(3-propan-2-yloxiran-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(3-propan-2-yloxiran-2-yl)-1H-quinolin-2-one
PubChem CID135063873
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-(3-propan-2-yloxiran-2-yl)-1H-quinolin-2-one
SMILESCC(C)C1OC1c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C14H15NO2/c1-8(2)12-13(17-12)10-7-9-5-3-4-6-11(9)15-14(10)16/h3-8,12-13H,1-2H3,(H,15,16)
InChIKeyQDRWLJMPBFVYNB-UHFFFAOYSA-N
XLogP2.62
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-Ethoxycarbonyl-2-quinolone
CID 160782
Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 589276
Propyl 2-hydroxyquinoline-4-carboxylate
CID 649303
butyl 2-oxo-1H-quinoline-4-carboxylate
CID 660495
(2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
CID 664971
Isobutyl 2-oxo-1,2-dihydro-4-quinolinecarboxylate
CID 827787
2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester
CID 649586
3-(methoxymethyl)-4-methyl-1H-quinolin-2-one
CID 162666837
Methyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 277384
4-butoxy-3-butyl-1H-quinolin-2-one
CID 46886201
3-Isopentyl-4-isopentyloxy-quinolin-2-ol
CID 46886202
3-propan-2-yl-4-propan-2-yloxy-1H-quinolin-2-one
CID 46886337

Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yloxiran-2-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(3-propan-2-yloxiran-2-yl)-1H-quinolin-2-one (CID 135063873) is 3-(3-propan-2-yloxiran-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(3-propan-2-yloxiran-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(3-propan-2-yloxiran-2-yl)-1H-quinolin-2-one is CC(C)C1OC1c1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-(3-propan-2-yloxiran-2-yl)-1H-quinolin-2-one?
The InChIKey is QDRWLJMPBFVYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-8(2)12-13(17-12)10-7-9-5-3-4-6-11(9)15-14(10)16/h3-8,12-13H,1-2H3,(H,15,16).
What are the key properties of 3-(3-propan-2-yloxiran-2-yl)-1H-quinolin-2-one?
3-(3-propan-2-yloxiran-2-yl)-1H-quinolin-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yloxiran-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 135063873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).