ethyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride

C11H15ClN2O2 — CID 53350386

IUPACethyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2c(c1)CCNC2.Cl
InChIInChI=1S/C11H14N2O2.ClH/c1-2-15-11(14)9-5-8-3-4-12-7-10(8)13-6-9;/h5-6,12H,2-4,7H2,1H3;1H
InChIKeyLFZIADKFYMUEMK-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.33
Rot. Bonds2

About ethyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride

ethyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride (PubChem CID 53350386) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is ethyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride
PubChem CID53350386
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Nameethyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2c(c1)CCNC2.Cl
InChIInChI=1S/C11H14N2O2.ClH/c1-2-15-11(14)9-5-8-3-4-12-7-10(8)13-6-9;/h5-6,12H,2-4,7H2,1H3;1H
InChIKeyLFZIADKFYMUEMK-UHFFFAOYSA-N
XLogP1.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride (CID 53350386) is ethyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride is CCOC(=O)c1cnc2c(c1)CCNC2.Cl.
What is the InChIKey of ethyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride?
The InChIKey is LFZIADKFYMUEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.ClH/c1-2-15-11(14)9-5-8-3-4-12-7-10(8)13-6-9;/h5-6,12H,2-4,7H2,1H3;1H.
What are the key properties of ethyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride?
ethyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 53350386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).