ethyl 4-morpholin-4-yl-2-oxo-1H-1,8-naphthyridine-3-carboxylate

C15H17N3O4 — CID 70596773

IUPACethyl 4-morpholin-4-yl-2-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N2CCOCC2)c2cccnc2[nH]c1=O
InChIInChI=1S/C15H17N3O4/c1-2-22-15(20)11-12(18-6-8-21-9-7-18)10-4-3-5-16-13(10)17-14(11)19/h3-5H,2,6-9H2,1H3,(H,16,17,19)
InChIKeyYRQZQUJFPCIBQH-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.94
Rot. Bonds3

About ethyl 4-morpholin-4-yl-2-oxo-1H-1,8-naphthyridine-3-carboxylate

ethyl 4-morpholin-4-yl-2-oxo-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 70596773) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is ethyl 4-morpholin-4-yl-2-oxo-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-morpholin-4-yl-2-oxo-1H-1,8-naphthyridine-3-carboxylate
PubChem CID70596773
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Nameethyl 4-morpholin-4-yl-2-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N2CCOCC2)c2cccnc2[nH]c1=O
InChIInChI=1S/C15H17N3O4/c1-2-22-15(20)11-12(18-6-8-21-9-7-18)10-4-3-5-16-13(10)17-14(11)19/h3-5H,2,6-9H2,1H3,(H,16,17,19)
InChIKeyYRQZQUJFPCIBQH-UHFFFAOYSA-N
XLogP0.94
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-morpholin-4-yl-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-morpholin-4-yl-2-oxo-1H-1,8-naphthyridine-3-carboxylate (CID 70596773) is ethyl 4-morpholin-4-yl-2-oxo-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-morpholin-4-yl-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-morpholin-4-yl-2-oxo-1H-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(N2CCOCC2)c2cccnc2[nH]c1=O.
What is the InChIKey of ethyl 4-morpholin-4-yl-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is YRQZQUJFPCIBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-2-22-15(20)11-12(18-6-8-21-9-7-18)10-4-3-5-16-13(10)17-14(11)19/h3-5H,2,6-9H2,1H3,(H,16,17,19).
What are the key properties of ethyl 4-morpholin-4-yl-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
ethyl 4-morpholin-4-yl-2-oxo-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-morpholin-4-yl-2-oxo-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 70596773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).