ethyl 3-[[6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carbonyl]amino]benzoate

C22H23N3O5 — CID 46339917

IUPACethyl 3-[[6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc3c(=O)n(CCOC)ccc3nc2C)c1
InChIInChI=1S/C22H23N3O5/c1-4-30-22(28)15-6-5-7-16(12-15)24-20(26)17-13-18-19(23-14(17)2)8-9-25(21(18)27)10-11-29-3/h5-9,12-13H,4,10-11H2,1-3H3,(H,24,26)
InChIKeyTZQBKGMVYHBNSE-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.78
Rot. Bonds7

About ethyl 3-[[6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carbonyl]amino]benzoate

ethyl 3-[[6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carbonyl]amino]benzoate (PubChem CID 46339917) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is ethyl 3-[[6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carbonyl]amino]benzoate
PubChem CID46339917
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Nameethyl 3-[[6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc3c(=O)n(CCOC)ccc3nc2C)c1
InChIInChI=1S/C22H23N3O5/c1-4-30-22(28)15-6-5-7-16(12-15)24-20(26)17-13-18-19(23-14(17)2)8-9-25(21(18)27)10-11-29-3/h5-9,12-13H,4,10-11H2,1-3H3,(H,24,26)
InChIKeyTZQBKGMVYHBNSE-UHFFFAOYSA-N
XLogP2.78
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 3-[[6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carbonyl]amino]benzoate (CID 46339917) is ethyl 3-[[6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carbonyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2cc3c(=O)n(CCOC)ccc3nc2C)c1.
What is the InChIKey of ethyl 3-[[6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carbonyl]amino]benzoate?
The InChIKey is TZQBKGMVYHBNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-4-30-22(28)15-6-5-7-16(12-15)24-20(26)17-13-18-19(23-14(17)2)8-9-25(21(18)27)10-11-29-3/h5-9,12-13H,4,10-11H2,1-3H3,(H,24,26).
What are the key properties of ethyl 3-[[6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carbonyl]amino]benzoate?
ethyl 3-[[6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carbonyl]amino]benzoate has a molecular weight of 409.44 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 46339917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).