ethyl 7-benzyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxylate

C24H27N3O5 — CID 58882987

IUPACethyl 7-benzyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ncc(Cc3ccccc3)cc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C24H27N3O5/c1-2-32-24(30)20-22(28)21-19(15-18(16-25-21)14-17-6-4-3-5-7-17)27(23(20)29)9-8-26-10-12-31-13-11-26/h3-7,15-16,28H,2,8-14H2,1H3
InChIKeyYPHNGTAMRRSSKC-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.20
Rot. Bonds7

About ethyl 7-benzyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxylate

ethyl 7-benzyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxylate (PubChem CID 58882987) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is ethyl 7-benzyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-benzyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxylate
PubChem CID58882987
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Nameethyl 7-benzyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ncc(Cc3ccccc3)cc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C24H27N3O5/c1-2-32-24(30)20-22(28)21-19(15-18(16-25-21)14-17-6-4-3-5-7-17)27(23(20)29)9-8-26-10-12-31-13-11-26/h3-7,15-16,28H,2,8-14H2,1H3
InChIKeyYPHNGTAMRRSSKC-UHFFFAOYSA-N
XLogP2.20
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-benzyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-benzyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxylate (CID 58882987) is ethyl 7-benzyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-benzyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-benzyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2ncc(Cc3ccccc3)cc2n(CCN2CCOCC2)c1=O.
What is the InChIKey of ethyl 7-benzyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxylate?
The InChIKey is YPHNGTAMRRSSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-2-32-24(30)20-22(28)21-19(15-18(16-25-21)14-17-6-4-3-5-7-17)27(23(20)29)9-8-26-10-12-31-13-11-26/h3-7,15-16,28H,2,8-14H2,1H3.
What are the key properties of ethyl 7-benzyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxylate?
ethyl 7-benzyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxylate has a molecular weight of 437.50 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-benzyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 58882987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).