ethyl 4-hydroxy-1-methyl-6-oxo-2-quinolin-2-yl-2,3-dihydropyridine-5-carboxylate

C18H18N2O4 — CID 54716139

IUPACethyl 4-hydroxy-1-methyl-6-oxo-2-quinolin-2-yl-2,3-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(O)CC(c2ccc3ccccc3n2)N(C)C1=O
InChIInChI=1S/C18H18N2O4/c1-3-24-18(23)16-15(21)10-14(20(2)17(16)22)13-9-8-11-6-4-5-7-12(11)19-13/h4-9,14,21H,3,10H2,1-2H3
InChIKeyCOQRZBIRMQLXIV-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.51
Rot. Bonds3

About ethyl 4-hydroxy-1-methyl-6-oxo-2-quinolin-2-yl-2,3-dihydropyridine-5-carboxylate

ethyl 4-hydroxy-1-methyl-6-oxo-2-quinolin-2-yl-2,3-dihydropyridine-5-carboxylate (PubChem CID 54716139) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-methyl-6-oxo-2-quinolin-2-yl-2,3-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-methyl-6-oxo-2-quinolin-2-yl-2,3-dihydropyridine-5-carboxylate
PubChem CID54716139
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Nameethyl 4-hydroxy-1-methyl-6-oxo-2-quinolin-2-yl-2,3-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(O)CC(c2ccc3ccccc3n2)N(C)C1=O
InChIInChI=1S/C18H18N2O4/c1-3-24-18(23)16-15(21)10-14(20(2)17(16)22)13-9-8-11-6-4-5-7-12(11)19-13/h4-9,14,21H,3,10H2,1-2H3
InChIKeyCOQRZBIRMQLXIV-UHFFFAOYSA-N
XLogP2.51
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-methyl-6-oxo-2-quinolin-2-yl-2,3-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-methyl-6-oxo-2-quinolin-2-yl-2,3-dihydropyridine-5-carboxylate (CID 54716139) is ethyl 4-hydroxy-1-methyl-6-oxo-2-quinolin-2-yl-2,3-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1-methyl-6-oxo-2-quinolin-2-yl-2,3-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-methyl-6-oxo-2-quinolin-2-yl-2,3-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(O)CC(c2ccc3ccccc3n2)N(C)C1=O.
What is the InChIKey of ethyl 4-hydroxy-1-methyl-6-oxo-2-quinolin-2-yl-2,3-dihydropyridine-5-carboxylate?
The InChIKey is COQRZBIRMQLXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-24-18(23)16-15(21)10-14(20(2)17(16)22)13-9-8-11-6-4-5-7-12(11)19-13/h4-9,14,21H,3,10H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-1-methyl-6-oxo-2-quinolin-2-yl-2,3-dihydropyridine-5-carboxylate?
ethyl 4-hydroxy-1-methyl-6-oxo-2-quinolin-2-yl-2,3-dihydropyridine-5-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1-methyl-6-oxo-2-quinolin-2-yl-2,3-dihydropyridine-5-carboxylate is sourced from PubChem (CID 54716139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).