[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C23H25N3O4 — CID 2437075

IUPAC[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C23H25N3O4/c1-5-26-12-19(21(28)18-11-6-15(4)24-22(18)26)23(29)30-13-20(27)25-17-9-7-16(8-10-17)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,25,27)
InChIKeyNWIGQIBEGRCTTG-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.64
Rot. Bonds6

About [2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 2437075) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID2437075
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C23H25N3O4/c1-5-26-12-19(21(28)18-11-6-15(4)24-22(18)26)23(29)30-13-20(27)25-17-9-7-16(8-10-17)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,25,27)
InChIKeyNWIGQIBEGRCTTG-UHFFFAOYSA-N
XLogP3.64
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 2437075) is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCn1cc(C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c(=O)c2ccc(C)nc21.
What is the InChIKey of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is NWIGQIBEGRCTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-5-26-12-19(21(28)18-11-6-15(4)24-22(18)26)23(29)30-13-20(27)25-17-9-7-16(8-10-17)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,25,27).
What are the key properties of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 2437075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).