5-(2-ethenyl-1-ethylquinolin-4-ylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C19H19N3O3 — CID 167465148

IUPAC5-(2-ethenyl-1-ethylquinolin-4-ylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESC=CC1=CC(=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc2N1CC
InChIInChI=1S/C19H19N3O3/c1-5-12-11-14(13-9-7-8-10-15(13)22(12)6-2)16-17(23)20(3)19(25)21(4)18(16)24/h5,7-11H,1,6H2,2-4H3
InChIKeyBTYJBZBKUSBGGG-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.40
Rot. Bonds2

About 5-(2-ethenyl-1-ethylquinolin-4-ylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-(2-ethenyl-1-ethylquinolin-4-ylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 167465148) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-(2-ethenyl-1-ethylquinolin-4-ylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(2-ethenyl-1-ethylquinolin-4-ylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID167465148
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name5-(2-ethenyl-1-ethylquinolin-4-ylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESC=CC1=CC(=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc2N1CC
InChIInChI=1S/C19H19N3O3/c1-5-12-11-14(13-9-7-8-10-15(13)22(12)6-2)16-17(23)20(3)19(25)21(4)18(16)24/h5,7-11H,1,6H2,2-4H3
InChIKeyBTYJBZBKUSBGGG-UHFFFAOYSA-N
XLogP2.40
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethenyl-1-ethylquinolin-4-ylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(2-ethenyl-1-ethylquinolin-4-ylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 167465148) is 5-(2-ethenyl-1-ethylquinolin-4-ylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(2-ethenyl-1-ethylquinolin-4-ylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(2-ethenyl-1-ethylquinolin-4-ylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is C=CC1=CC(=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc2N1CC.
What is the InChIKey of 5-(2-ethenyl-1-ethylquinolin-4-ylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is BTYJBZBKUSBGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-5-12-11-14(13-9-7-8-10-15(13)22(12)6-2)16-17(23)20(3)19(25)21(4)18(16)24/h5,7-11H,1,6H2,2-4H3.
What are the key properties of 5-(2-ethenyl-1-ethylquinolin-4-ylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-(2-ethenyl-1-ethylquinolin-4-ylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 337.38 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethenyl-1-ethylquinolin-4-ylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 167465148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).