ethyl 2-hydroxy-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate

C15H12N2O4 — CID 137251410

IUPACethyl 2-hydroxy-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)nc2c3ccccc3ccn2c1=O
InChIInChI=1S/C15H12N2O4/c1-2-21-15(20)11-13(18)16-12-10-6-4-3-5-9(10)7-8-17(12)14(11)19/h3-8,18H,2H2,1H3
InChIKeyDQMFJCZAWPJWHO-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.73
Rot. Bonds2

About ethyl 2-hydroxy-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate

ethyl 2-hydroxy-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate (PubChem CID 137251410) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is ethyl 2-hydroxy-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate
PubChem CID137251410
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Nameethyl 2-hydroxy-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)nc2c3ccccc3ccn2c1=O
InChIInChI=1S/C15H12N2O4/c1-2-21-15(20)11-13(18)16-12-10-6-4-3-5-9(10)7-8-17(12)14(11)19/h3-8,18H,2H2,1H3
InChIKeyDQMFJCZAWPJWHO-UHFFFAOYSA-N
XLogP1.73
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate
CID 155927218
ethyl 2-(3-methoxy-3-oxoprop-1-enyl)sulfanylimidazo[2,1-a]isoquinoline-3-carboxylate
CID 1497267
3-bromo-2-methylpyrimido[2,1-a]isoquinolin-4-one
CID 12664177
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate
CID 9354471
tetraethyl octacyclo[16.16.0.02,15.05,14.06,11.019,32.022,31.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene-3,4,20,21-tetracarboxylate
CID 134962471
ethyl 2-(4-ethoxycarbonylphenyl)-3-hydroxy-1-oxoisoquinoline-4-carboxylate
CID 135503877
ethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate
CID 142738035
ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696181
N-(2-ethoxyphenyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 137279230
diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
CID 10834680
ethyl 3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 12677994

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate?
The IUPAC name of ethyl 2-hydroxy-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate (CID 137251410) is ethyl 2-hydroxy-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate is CCOC(=O)c1c(O)nc2c3ccccc3ccn2c1=O.
What is the InChIKey of ethyl 2-hydroxy-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate?
The InChIKey is DQMFJCZAWPJWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-2-21-15(20)11-13(18)16-12-10-6-4-3-5-9(10)7-8-17(12)14(11)19/h3-8,18H,2H2,1H3.
What are the key properties of ethyl 2-hydroxy-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate?
ethyl 2-hydroxy-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate has a molecular weight of 284.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate is sourced from PubChem (CID 137251410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).