ethyl 4-(diacetylamino)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate

C17H19N3O5 — CID 12818633

IUPACethyl 4-(diacetylamino)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N(C(C)=O)C(C)=O)c2cccnc2n(CC)c1=O
InChIInChI=1S/C17H19N3O5/c1-5-19-15-12(8-7-9-18-15)14(20(10(3)21)11(4)22)13(16(19)23)17(24)25-6-2/h7-9H,5-6H2,1-4H3
InChIKeyQOJXDZWGUZSAOO-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.49
Rot. Bonds4

About ethyl 4-(diacetylamino)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate

ethyl 4-(diacetylamino)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 12818633) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is ethyl 4-(diacetylamino)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(diacetylamino)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID12818633
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Nameethyl 4-(diacetylamino)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N(C(C)=O)C(C)=O)c2cccnc2n(CC)c1=O
InChIInChI=1S/C17H19N3O5/c1-5-19-15-12(8-7-9-18-15)14(20(10(3)21)11(4)22)13(16(19)23)17(24)25-6-2/h7-9H,5-6H2,1-4H3
InChIKeyQOJXDZWGUZSAOO-UHFFFAOYSA-N
XLogP1.49
TPSA98.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(diacetylamino)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-(diacetylamino)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate (CID 12818633) is ethyl 4-(diacetylamino)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(diacetylamino)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(diacetylamino)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(N(C(C)=O)C(C)=O)c2cccnc2n(CC)c1=O.
What is the InChIKey of ethyl 4-(diacetylamino)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is QOJXDZWGUZSAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-5-19-15-12(8-7-9-18-15)14(20(10(3)21)11(4)22)13(16(19)23)17(24)25-6-2/h7-9H,5-6H2,1-4H3.
What are the key properties of ethyl 4-(diacetylamino)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 4-(diacetylamino)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 345.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(diacetylamino)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 12818633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).