ethyl 4-(2-chloroethyl)-7-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate

C14H15ClN2O3 — CID 70530493

IUPACethyl 4-(2-chloroethyl)-7-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(CCCl)c2ccc(C)nc2[nH]c1=O
InChIInChI=1S/C14H15ClN2O3/c1-3-20-14(19)11-9(6-7-15)10-5-4-8(2)16-12(10)17-13(11)18/h4-5H,3,6-7H2,1-2H3,(H,16,17,18)
InChIKeyHWZBDWVXMLBAJL-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.19
Rot. Bonds4

About ethyl 4-(2-chloroethyl)-7-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate

ethyl 4-(2-chloroethyl)-7-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 70530493) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is ethyl 4-(2-chloroethyl)-7-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-chloroethyl)-7-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate
PubChem CID70530493
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Nameethyl 4-(2-chloroethyl)-7-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(CCCl)c2ccc(C)nc2[nH]c1=O
InChIInChI=1S/C14H15ClN2O3/c1-3-20-14(19)11-9(6-7-15)10-5-4-8(2)16-12(10)17-13(11)18/h4-5H,3,6-7H2,1-2H3,(H,16,17,18)
InChIKeyHWZBDWVXMLBAJL-UHFFFAOYSA-N
XLogP2.19
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-chloro-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 90455879
ethyl 4-(iodomethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 89329733
ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696181
ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 15856844
ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate
CID 59699624
ethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 166831298
ethyl 6-bromo-2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 91759070
ethyl 6-bromo-3-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 164958293
ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
diethyl 3-chloro-1H-pyrrolo[2,3-b]pyridine-2,6-dicarboxylate
CID 130338818
ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
CID 54734835
ethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 22105943

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-chloroethyl)-7-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-(2-chloroethyl)-7-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate (CID 70530493) is ethyl 4-(2-chloroethyl)-7-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-chloroethyl)-7-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(2-chloroethyl)-7-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(CCCl)c2ccc(C)nc2[nH]c1=O.
What is the InChIKey of ethyl 4-(2-chloroethyl)-7-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is HWZBDWVXMLBAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-3-20-14(19)11-9(6-7-15)10-5-4-8(2)16-12(10)17-13(11)18/h4-5H,3,6-7H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl 4-(2-chloroethyl)-7-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
ethyl 4-(2-chloroethyl)-7-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 294.74 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-chloroethyl)-7-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 70530493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).