4-[3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-phenyl-1,2-oxazol-5-one

C21H18N2O2 — CID 59886123

IUPAC4-[3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-phenyl-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)C1=CC=CN1CCCc2ccccc21
InChIInChI=1S/C21H18N2O2/c24-21-18(20(22-25-21)17-9-2-1-3-10-17)12-7-15-23-14-6-11-16-8-4-5-13-19(16)23/h1-5,7-10,12-13,15H,6,11,14H2
InChIKeyRWEQSQYBKPQSPW-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.84
Rot. Bonds3

About 4-[3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-phenyl-1,2-oxazol-5-one

4-[3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-phenyl-1,2-oxazol-5-one (PubChem CID 59886123) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-[3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-phenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-[3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-phenyl-1,2-oxazol-5-one
PubChem CID59886123
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name4-[3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-phenyl-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)C1=CC=CN1CCCc2ccccc21
InChIInChI=1S/C21H18N2O2/c24-21-18(20(22-25-21)17-9-2-1-3-10-17)12-7-15-23-14-6-11-16-8-4-5-13-19(16)23/h1-5,7-10,12-13,15H,6,11,14H2
InChIKeyRWEQSQYBKPQSPW-UHFFFAOYSA-N
XLogP3.84
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Analyze 4-[3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-phenyl-1,2-oxazol-5-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

(5Z)-3-cyclohexyl-5-[(E)-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6535048
(5Z)-5-[(Z)-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2252865
4-[(5Z)-5-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)penta-1,3-dienyl]-3-phenyl-1,2-oxazol-5-olate
CID 59905308
(3E)-3-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-1-methylindol-2-one
CID 113217969
3-(4-chlorophenyl)-4-cinnamylidene-1,2-oxazol-5-one
CID 685391
3-phenyl-4-(phenylsulfanylmethylidene)-1,2-oxazol-5-one
CID 71391559
5-[3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3501519
1-[(3E,5E)-7-(3,4-dihydro-2H-quinolin-1-ium-1-ylidene)hepta-1,3,5-trienyl]-3,4-dihydro-2H-quinoline;hydrochloride
CID 126960850
1-[7-(3,4-dihydro-2H-quinolin-1-ium-1-ylidene)hepta-1,3,5-trienyl]-3,4-dihydro-2H-quinoline chloride
CID 137221151
(2E,5E)-2,5-bis(2,3-dihydroindol-1-ylmethylidene)cyclopentan-1-one
CID 59550191
3,4-dihydro-2H-quinoline-1-carbaldehyde;1,2,3,4-tetrahydroquinoline
CID 157192076
1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione
CID 3397137

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-phenyl-1,2-oxazol-5-one?
The IUPAC name of 4-[3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-phenyl-1,2-oxazol-5-one (CID 59886123) is 4-[3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-phenyl-1,2-oxazol-5-one.
What is the SMILES notation for 4-[3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-phenyl-1,2-oxazol-5-one?
The canonical SMILES for 4-[3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-phenyl-1,2-oxazol-5-one is O=C1ON=C(c2ccccc2)C1=CC=CN1CCCc2ccccc21.
What is the InChIKey of 4-[3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-phenyl-1,2-oxazol-5-one?
The InChIKey is RWEQSQYBKPQSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-21-18(20(22-25-21)17-9-2-1-3-10-17)12-7-15-23-14-6-11-16-8-4-5-13-19(16)23/h1-5,7-10,12-13,15H,6,11,14H2.
What are the key properties of 4-[3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-phenyl-1,2-oxazol-5-one?
4-[3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-phenyl-1,2-oxazol-5-one has a molecular weight of 330.39 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-phenyl-1,2-oxazol-5-one is sourced from PubChem (CID 59886123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).