ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate

C11H10N2O3 — CID 11564777

IUPACethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2cccnc2[nH]c1=O
InChIInChI=1S/C11H10N2O3/c1-2-16-11(15)8-6-7-4-3-5-12-9(7)13-10(8)14/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyPIHWQJBFCRABCQ-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.10
Rot. Bonds2

About ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate

ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 11564777) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
PubChem CID11564777
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Nameethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2cccnc2[nH]c1=O
InChIInChI=1S/C11H10N2O3/c1-2-16-11(15)8-6-7-4-3-5-12-9(7)13-10(8)14/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyPIHWQJBFCRABCQ-UHFFFAOYSA-N
XLogP1.10
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 134693333
(2-hydroxyphenyl) 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 154452636
diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate
CID 6501538
ethyl 2-oxo-1H-1,8-naphthyridine-4-carboxylate
CID 76849396
2-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxyethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 156702855
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate
CID 22509332
ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate
CID 168862194
ethyl 9H-pyrido[2,3-b]indole-8-carboxylate
CID 135002978
1-(2-bromo-4-fluorophenyl)propan-2-yl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 175869755
ethyl 6-hydroxyquinoline-8-carboxylate
CID 134613311
ethyl 6-hydroxyquinoline-7-carboxylate
CID 133084141

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate (CID 11564777) is ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cc2cccnc2[nH]c1=O.
What is the InChIKey of ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is PIHWQJBFCRABCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-2-16-11(15)8-6-7-4-3-5-12-9(7)13-10(8)14/h3-6H,2H2,1H3,(H,12,13,14).
What are the key properties of ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate?
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 11564777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).