3-methylidene-5-quinolin-4-yloxolan-2-one

C14H11NO2 — CID 127052681

IUPAC3-methylidene-5-quinolin-4-yloxolan-2-one
SMILESC=C1CC(c2ccnc3ccccc23)OC1=O
InChIInChI=1S/C14H11NO2/c1-9-8-13(17-14(9)16)11-6-7-15-12-5-3-2-4-10(11)12/h2-7,13H,1,8H2
InChIKeyJLOLCCLXHGEFLT-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.78
Rot. Bonds1

About 3-methylidene-5-quinolin-4-yloxolan-2-one

3-methylidene-5-quinolin-4-yloxolan-2-one (PubChem CID 127052681) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-methylidene-5-quinolin-4-yloxolan-2-one.

Molecular Properties

Compound Name3-methylidene-5-quinolin-4-yloxolan-2-one
PubChem CID127052681
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name3-methylidene-5-quinolin-4-yloxolan-2-one
SMILESC=C1CC(c2ccnc3ccccc23)OC1=O
InChIInChI=1S/C14H11NO2/c1-9-8-13(17-14(9)16)11-6-7-15-12-5-3-2-4-10(11)12/h2-7,13H,1,8H2
InChIKeyJLOLCCLXHGEFLT-UHFFFAOYSA-N
XLogP2.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-quinolin-4-ylazetidin-2-one
CID 55255536
(4S,5S)-3-methylidene-4-phenyl-5-quinolin-4-yloxolan-2-one
CID 158195775
4-cyclopentylquinoline
CID 57273226
4-(4-methylidenecyclobut-2-en-1-yl)quinoline
CID 151936632
2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine
CID 43818980
3-quinolin-4-yloxirane-2-carboxamide
CID 23186110
trans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide
CID 166272446
4-(3,3-difluorooxan-4-yl)quinoline
CID 154031569
2-quinolin-4-ylspiro[3.3]heptane-6-carbaldehyde
CID 155419700
3-[(5-methylpyrazin-2-yl)methyl]-2-quinolin-4-yl-1,3-thiazolidin-4-one
CID 3597331
ethane;2-methyl-4-quinolin-4-ylthiolane 1,1-dioxide
CID 142355386
4-(azepan-2-yl)quinoline
CID 81147055

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-5-quinolin-4-yloxolan-2-one?
The IUPAC name of 3-methylidene-5-quinolin-4-yloxolan-2-one (CID 127052681) is 3-methylidene-5-quinolin-4-yloxolan-2-one.
What is the SMILES notation for 3-methylidene-5-quinolin-4-yloxolan-2-one?
The canonical SMILES for 3-methylidene-5-quinolin-4-yloxolan-2-one is C=C1CC(c2ccnc3ccccc23)OC1=O.
What is the InChIKey of 3-methylidene-5-quinolin-4-yloxolan-2-one?
The InChIKey is JLOLCCLXHGEFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-9-8-13(17-14(9)16)11-6-7-15-12-5-3-2-4-10(11)12/h2-7,13H,1,8H2.
What are the key properties of 3-methylidene-5-quinolin-4-yloxolan-2-one?
3-methylidene-5-quinolin-4-yloxolan-2-one has a molecular weight of 225.25 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-quinolin-4-yloxolan-2-one is sourced from PubChem (CID 127052681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).