[2-(2,6-dimethylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C22H23N3O4 — CID 2344423

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCC(=O)Nc2c(C)cccc2C)c(=O)c2ccc(C)nc21
InChIInChI=1S/C22H23N3O4/c1-5-25-11-17(20(27)16-10-9-15(4)23-21(16)25)22(28)29-12-18(26)24-19-13(2)7-6-8-14(19)3/h6-11H,5,12H2,1-4H3,(H,24,26)
InChIKeyKSFWXBGTITWOMZ-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.14
Rot. Bonds5

About [2-(2,6-dimethylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

[2-(2,6-dimethylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 2344423) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID2344423
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCC(=O)Nc2c(C)cccc2C)c(=O)c2ccc(C)nc21
InChIInChI=1S/C22H23N3O4/c1-5-25-11-17(20(27)16-10-9-15(4)23-21(16)25)22(28)29-12-18(26)24-19-13(2)7-6-8-14(19)3/h6-11H,5,12H2,1-4H3,(H,24,26)
InChIKeyKSFWXBGTITWOMZ-UHFFFAOYSA-N
XLogP3.14
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 2344423) is [2-(2,6-dimethylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCn1cc(C(=O)OCC(=O)Nc2c(C)cccc2C)c(=O)c2ccc(C)nc21.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is KSFWXBGTITWOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-5-25-11-17(20(27)16-10-9-15(4)23-21(16)25)22(28)29-12-18(26)24-19-13(2)7-6-8-14(19)3/h6-11H,5,12H2,1-4H3,(H,24,26).
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
[2-(2,6-dimethylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 2344423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).