ethyl (5S,6R)-4-methylidene-6-(7-methyl-2-oxo-1H-quinolin-3-yl)-2-oxo-1,3-diazinane-5-carboxylate

C18H19N3O4 — CID 2354366

IUPACethyl (5S,6R)-4-methylidene-6-(7-methyl-2-oxo-1H-quinolin-3-yl)-2-oxo-1,3-diazinane-5-carboxylate
SMILESC=C1NC(=O)N[C@@H](c2cc3ccc(C)cc3[nH]c2=O)[C@@H]1C(=O)OCC
InChIInChI=1S/C18H19N3O4/c1-4-25-17(23)14-10(3)19-18(24)21-15(14)12-8-11-6-5-9(2)7-13(11)20-16(12)22/h5-8,14-15H,3-4H2,1-2H3,(H,20,22)(H2,19,21,24)/t14-,15+/m1/s1
InChIKeyZCPMUVSOCDOMNR-CABCVRRESA-N
MW341.37 g/mol
LogP1.88
Rot. Bonds3

About ethyl (5S,6R)-4-methylidene-6-(7-methyl-2-oxo-1H-quinolin-3-yl)-2-oxo-1,3-diazinane-5-carboxylate

ethyl (5S,6R)-4-methylidene-6-(7-methyl-2-oxo-1H-quinolin-3-yl)-2-oxo-1,3-diazinane-5-carboxylate (PubChem CID 2354366) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is ethyl (5S,6R)-4-methylidene-6-(7-methyl-2-oxo-1H-quinolin-3-yl)-2-oxo-1,3-diazinane-5-carboxylate.

Molecular Properties

Compound Nameethyl (5S,6R)-4-methylidene-6-(7-methyl-2-oxo-1H-quinolin-3-yl)-2-oxo-1,3-diazinane-5-carboxylate
PubChem CID2354366
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Nameethyl (5S,6R)-4-methylidene-6-(7-methyl-2-oxo-1H-quinolin-3-yl)-2-oxo-1,3-diazinane-5-carboxylate
SMILESC=C1NC(=O)N[C@@H](c2cc3ccc(C)cc3[nH]c2=O)[C@@H]1C(=O)OCC
InChIInChI=1S/C18H19N3O4/c1-4-25-17(23)14-10(3)19-18(24)21-15(14)12-8-11-6-5-9(2)7-13(11)20-16(12)22/h5-8,14-15H,3-4H2,1-2H3,(H,20,22)(H2,19,21,24)/t14-,15+/m1/s1
InChIKeyZCPMUVSOCDOMNR-CABCVRRESA-N
XLogP1.88
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethyl (5S,6R)-4-methylidene-6-(7-methyl-2-oxo-1H-quinolin-3-yl)-2-oxo-1,3-diazinane-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (5S,6R)-4-methylidene-6-(7-methyl-2-oxo-1H-quinolin-3-yl)-2-oxo-1,3-diazinane-5-carboxylate?
The IUPAC name of ethyl (5S,6R)-4-methylidene-6-(7-methyl-2-oxo-1H-quinolin-3-yl)-2-oxo-1,3-diazinane-5-carboxylate (CID 2354366) is ethyl (5S,6R)-4-methylidene-6-(7-methyl-2-oxo-1H-quinolin-3-yl)-2-oxo-1,3-diazinane-5-carboxylate.
What is the SMILES notation for ethyl (5S,6R)-4-methylidene-6-(7-methyl-2-oxo-1H-quinolin-3-yl)-2-oxo-1,3-diazinane-5-carboxylate?
The canonical SMILES for ethyl (5S,6R)-4-methylidene-6-(7-methyl-2-oxo-1H-quinolin-3-yl)-2-oxo-1,3-diazinane-5-carboxylate is C=C1NC(=O)N[C@@H](c2cc3ccc(C)cc3[nH]c2=O)[C@@H]1C(=O)OCC.
What is the InChIKey of ethyl (5S,6R)-4-methylidene-6-(7-methyl-2-oxo-1H-quinolin-3-yl)-2-oxo-1,3-diazinane-5-carboxylate?
The InChIKey is ZCPMUVSOCDOMNR-CABCVRRESA-N. The full InChI is InChI=1S/C18H19N3O4/c1-4-25-17(23)14-10(3)19-18(24)21-15(14)12-8-11-6-5-9(2)7-13(11)20-16(12)22/h5-8,14-15H,3-4H2,1-2H3,(H,20,22)(H2,19,21,24)/t14-,15+/m1/s1.
What are the key properties of ethyl (5S,6R)-4-methylidene-6-(7-methyl-2-oxo-1H-quinolin-3-yl)-2-oxo-1,3-diazinane-5-carboxylate?
ethyl (5S,6R)-4-methylidene-6-(7-methyl-2-oxo-1H-quinolin-3-yl)-2-oxo-1,3-diazinane-5-carboxylate has a molecular weight of 341.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5S,6R)-4-methylidene-6-(7-methyl-2-oxo-1H-quinolin-3-yl)-2-oxo-1,3-diazinane-5-carboxylate is sourced from PubChem (CID 2354366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).