ethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-5-carboxylate;hydrochloride

C11H15ClN2O3 — CID 118622724

IUPACethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-5-carboxylate;hydrochloride
SMILESCCOC(=O)C1NCCc2[nH]c(=O)ccc21.Cl
InChIInChI=1S/C11H14N2O3.ClH/c1-2-16-11(15)10-7-3-4-9(14)13-8(7)5-6-12-10;/h3-4,10,12H,2,5-6H2,1H3,(H,13,14);1H
InChIKeyGWSYQKNIFGFBDV-UHFFFAOYSA-N
MW258.70 g/mol
LogP0.55
Rot. Bonds2

About ethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-5-carboxylate;hydrochloride

ethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-5-carboxylate;hydrochloride (PubChem CID 118622724) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is ethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-5-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-5-carboxylate;hydrochloride
PubChem CID118622724
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Nameethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-5-carboxylate;hydrochloride
SMILESCCOC(=O)C1NCCc2[nH]c(=O)ccc21.Cl
InChIInChI=1S/C11H14N2O3.ClH/c1-2-16-11(15)10-7-3-4-9(14)13-8(7)5-6-12-10;/h3-4,10,12H,2,5-6H2,1H3,(H,13,14);1H
InChIKeyGWSYQKNIFGFBDV-UHFFFAOYSA-N
XLogP0.55
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 3-methylidenepyrrolidine-2-carboxylate
CID 23178513
ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate
CID 124518603
ethyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
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ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-7-carboxylate;hydrochloride
CID 131664469
ethyl 7-(hydroxymethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 121405997
ethyl 3-(oxomethylidene)pyrrolidine-2-carboxylate
CID 160845715
ethyl (1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate
CID 92857663
ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate
CID 157046318
ethyl 4,5,6,7-tetrahydrofuro[2,3-c]pyridine-7-carboxylate
CID 70156183
ethyl 5-(methylamino)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-1-carboxylate
CID 70624082

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-5-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-5-carboxylate;hydrochloride (CID 118622724) is ethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-5-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-5-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-5-carboxylate;hydrochloride is CCOC(=O)C1NCCc2[nH]c(=O)ccc21.Cl.
What is the InChIKey of ethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-5-carboxylate;hydrochloride?
The InChIKey is GWSYQKNIFGFBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3.ClH/c1-2-16-11(15)10-7-3-4-9(14)13-8(7)5-6-12-10;/h3-4,10,12H,2,5-6H2,1H3,(H,13,14);1H.
What are the key properties of ethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-5-carboxylate;hydrochloride?
ethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-5-carboxylate;hydrochloride has a molecular weight of 258.70 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-5-carboxylate;hydrochloride is sourced from PubChem (CID 118622724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).