ethyl 1-ethyl-4-hydroxy-7-methyl-2H-1,8-naphthyridine-3-carboxylate

C14H18N2O3 — CID 154283453

IUPACethyl 1-ethyl-4-hydroxy-7-methyl-2H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)C1=C(O)c2ccc(C)nc2N(CC)C1
InChIInChI=1S/C14H18N2O3/c1-4-16-8-11(14(18)19-5-2)12(17)10-7-6-9(3)15-13(10)16/h6-7,17H,4-5,8H2,1-3H3
InChIKeyNRZLUYIUJWOGQK-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.06
Rot. Bonds3

About ethyl 1-ethyl-4-hydroxy-7-methyl-2H-1,8-naphthyridine-3-carboxylate

ethyl 1-ethyl-4-hydroxy-7-methyl-2H-1,8-naphthyridine-3-carboxylate (PubChem CID 154283453) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 1-ethyl-4-hydroxy-7-methyl-2H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-hydroxy-7-methyl-2H-1,8-naphthyridine-3-carboxylate
PubChem CID154283453
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nameethyl 1-ethyl-4-hydroxy-7-methyl-2H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)C1=C(O)c2ccc(C)nc2N(CC)C1
InChIInChI=1S/C14H18N2O3/c1-4-16-8-11(14(18)19-5-2)12(17)10-7-6-9(3)15-13(10)16/h6-7,17H,4-5,8H2,1-3H3
InChIKeyNRZLUYIUJWOGQK-UHFFFAOYSA-N
XLogP2.06
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
CID 102340354
ethyl 1-ethyl-4-methoxy-5-oxo-2H-pyrrole-3-carboxylate
CID 39733378
ethyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
CID 54737684
4-(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoic acid
CID 54690070
ethyl 4-hydroxy-1-(3-methoxypropyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 142565074
ethyl 2-formyl-6-methylpyridine-3-carboxylate
CID 112757143
ethyl 2-acetamido-6-methylpyridine-3-carboxylate
CID 12910047
ethyl 4-hydroxy-5-oxo-1-[(1R)-1-phenylethyl]-2H-pyrrole-3-carboxylate
CID 54737685
diethyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 13042860
ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696181
ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate
CID 171811452
ethyl 2-aminocyclopropene-1-carboxylate
CID 54193100

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-4-hydroxy-7-methyl-2H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-hydroxy-7-methyl-2H-1,8-naphthyridine-3-carboxylate (CID 154283453) is ethyl 1-ethyl-4-hydroxy-7-methyl-2H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-hydroxy-7-methyl-2H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-hydroxy-7-methyl-2H-1,8-naphthyridine-3-carboxylate is CCOC(=O)C1=C(O)c2ccc(C)nc2N(CC)C1.
What is the InChIKey of ethyl 1-ethyl-4-hydroxy-7-methyl-2H-1,8-naphthyridine-3-carboxylate?
The InChIKey is NRZLUYIUJWOGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-16-8-11(14(18)19-5-2)12(17)10-7-6-9(3)15-13(10)16/h6-7,17H,4-5,8H2,1-3H3.
What are the key properties of ethyl 1-ethyl-4-hydroxy-7-methyl-2H-1,8-naphthyridine-3-carboxylate?
ethyl 1-ethyl-4-hydroxy-7-methyl-2H-1,8-naphthyridine-3-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-hydroxy-7-methyl-2H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 154283453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).