(5E)-3-methyl-5-[(2-methylquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione

C15H12N2O3 — CID 66908601

IUPAC(5E)-3-methyl-5-[(2-methylquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESCc1nc2ccccc2cc1/C=C1/OC(=O)N(C)C1=O
InChIInChI=1S/C15H12N2O3/c1-9-11(7-10-5-3-4-6-12(10)16-9)8-13-14(18)17(2)15(19)20-13/h3-8H,1-2H3/b13-8+
InChIKeyMBPVFVVZLWHHNO-MDWZMJQESA-N
MW268.27 g/mol
LogP2.49
Rot. Bonds1

About (5E)-3-methyl-5-[(2-methylquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione

(5E)-3-methyl-5-[(2-methylquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione (PubChem CID 66908601) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is (5E)-3-methyl-5-[(2-methylquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-methyl-5-[(2-methylquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione
PubChem CID66908601
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name(5E)-3-methyl-5-[(2-methylquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESCc1nc2ccccc2cc1/C=C1/OC(=O)N(C)C1=O
InChIInChI=1S/C15H12N2O3/c1-9-11(7-10-5-3-4-6-12(10)16-9)8-13-14(18)17(2)15(19)20-13/h3-8H,1-2H3/b13-8+
InChIKeyMBPVFVVZLWHHNO-MDWZMJQESA-N
XLogP2.49
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5E)-3-methyl-5-[(2-methylquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

[2-(2-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate
CID 5866154
1-[(E)-3-quinolin-2-ylprop-2-enoyl]-2,3-dihydropyridin-6-one
CID 145976866
[1-(N-methylanilino)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate
CID 25162628
2-[(5Z)-2,4-dioxo-5-(quinolin-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid
CID 142450743
3-[[4-(4-Fluorophenyl)-2-(methyliminomethyl)quinolin-7-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 129166480
N-[2-[2-Quinolyl]ethyl]succinimide
CID 593518
tert-butyl (12bR)-4-oxo-1,6,7,12b-tetrahydroindolo[2,3-a]quinolizine-12-carboxylate
CID 11858815
tert-butyl (2S)-2-quinolin-2-ylpyrrolidine-1-carboxylate
CID 122214685
(e)-t-Butyl 2-(3-(quinolin-2-yl)acrylamido) ethylcarbamate
CID 132276961
Tert-butyl 3-(4-methylquinolin-2-yl)pyrrolidine-1-carboxylate
CID 138973828
tert-butyl (2R)-2-(4-methylquinolin-2-yl)pyrrolidine-1-carboxylate
CID 162400847
Tert-butyl 2-methyl-4-oxo-6,7-dihydroindolo[2,3-a]quinolizine-12-carboxylate
CID 168351054

Frequently Asked Questions

What is the IUPAC name of (5E)-3-methyl-5-[(2-methylquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5E)-3-methyl-5-[(2-methylquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione (CID 66908601) is (5E)-3-methyl-5-[(2-methylquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-methyl-5-[(2-methylquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5E)-3-methyl-5-[(2-methylquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione is Cc1nc2ccccc2cc1/C=C1/OC(=O)N(C)C1=O.
What is the InChIKey of (5E)-3-methyl-5-[(2-methylquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione?
The InChIKey is MBPVFVVZLWHHNO-MDWZMJQESA-N. The full InChI is InChI=1S/C15H12N2O3/c1-9-11(7-10-5-3-4-6-12(10)16-9)8-13-14(18)17(2)15(19)20-13/h3-8H,1-2H3/b13-8+.
What are the key properties of (5E)-3-methyl-5-[(2-methylquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione?
(5E)-3-methyl-5-[(2-methylquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione has a molecular weight of 268.27 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-5-[(2-methylquinolin-3-yl)methylidene]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 66908601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).