(4S,5S)-3-methylidene-4-phenyl-5-quinolin-4-yloxolan-2-one

C20H15NO2 — CID 158195775

IUPAC(4S,5S)-3-methylidene-4-phenyl-5-quinolin-4-yloxolan-2-one
SMILESC=C1C(=O)O[C@H](c2ccnc3ccccc23)[C@H]1c1ccccc1
InChIInChI=1S/C20H15NO2/c1-13-18(14-7-3-2-4-8-14)19(23-20(13)22)16-11-12-21-17-10-6-5-9-15(16)17/h2-12,18-19H,1H2/t18-,19-/m1/s1
InChIKeyGAIABGSNMDJCJE-RTBURBONSA-N
MW301.35 g/mol
LogP4.17
Rot. Bonds2

About (4S,5S)-3-methylidene-4-phenyl-5-quinolin-4-yloxolan-2-one

(4S,5S)-3-methylidene-4-phenyl-5-quinolin-4-yloxolan-2-one (PubChem CID 158195775) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (4S,5S)-3-methylidene-4-phenyl-5-quinolin-4-yloxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-3-methylidene-4-phenyl-5-quinolin-4-yloxolan-2-one
PubChem CID158195775
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name(4S,5S)-3-methylidene-4-phenyl-5-quinolin-4-yloxolan-2-one
SMILESC=C1C(=O)O[C@H](c2ccnc3ccccc23)[C@H]1c1ccccc1
InChIInChI=1S/C20H15NO2/c1-13-18(14-7-3-2-4-8-14)19(23-20(13)22)16-11-12-21-17-10-6-5-9-15(16)17/h2-12,18-19H,1H2/t18-,19-/m1/s1
InChIKeyGAIABGSNMDJCJE-RTBURBONSA-N
XLogP4.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S,5S)-3-methylidene-4-phenyl-5-quinolin-4-yloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methylidene-5-quinolin-4-yloxolan-2-one
CID 127052681
(4R,5S)-3-methylidene-4-naphthalen-1-yl-5-phenyloxolan-2-one
CID 162213218
4-(4-methylidenecyclobut-2-en-1-yl)quinoline
CID 151936632
3-quinolin-4-yloxirane-2-carboxamide
CID 23186110
(4R,5S)-5-(3,4-difluorophenyl)-3-methylidene-4-phenyloxolan-2-one
CID 122369438
4-quinolin-4-ylazetidin-2-one
CID 55255536
4-cyclopentylquinoline
CID 57273226
4-methyl-2-quinolin-4-yl-1,3-thiazolidine
CID 66220379
2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine
CID 43818980
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

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-methylidene-4-phenyl-5-quinolin-4-yloxolan-2-one?
The IUPAC name of (4S,5S)-3-methylidene-4-phenyl-5-quinolin-4-yloxolan-2-one (CID 158195775) is (4S,5S)-3-methylidene-4-phenyl-5-quinolin-4-yloxolan-2-one.
What is the SMILES notation for (4S,5S)-3-methylidene-4-phenyl-5-quinolin-4-yloxolan-2-one?
The canonical SMILES for (4S,5S)-3-methylidene-4-phenyl-5-quinolin-4-yloxolan-2-one is C=C1C(=O)O[C@H](c2ccnc3ccccc23)[C@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-3-methylidene-4-phenyl-5-quinolin-4-yloxolan-2-one?
The InChIKey is GAIABGSNMDJCJE-RTBURBONSA-N. The full InChI is InChI=1S/C20H15NO2/c1-13-18(14-7-3-2-4-8-14)19(23-20(13)22)16-11-12-21-17-10-6-5-9-15(16)17/h2-12,18-19H,1H2/t18-,19-/m1/s1.
What are the key properties of (4S,5S)-3-methylidene-4-phenyl-5-quinolin-4-yloxolan-2-one?
(4S,5S)-3-methylidene-4-phenyl-5-quinolin-4-yloxolan-2-one has a molecular weight of 301.35 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-methylidene-4-phenyl-5-quinolin-4-yloxolan-2-one is sourced from PubChem (CID 158195775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).