ethyl 6-(benzylcarbamoyl)-4-hydroxy-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate

C26H23N3O6 — CID 68673073

IUPACethyl 6-(benzylcarbamoyl)-4-hydroxy-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cc(C(=O)NCc3ccccc3)cnc2n(OCc2ccccc2)c1=O
InChIInChI=1S/C26H23N3O6/c1-2-34-26(33)21-22(30)20-13-19(24(31)28-14-17-9-5-3-6-10-17)15-27-23(20)29(25(21)32)35-16-18-11-7-4-8-12-18/h3-13,15,30H,2,14,16H2,1H3,(H,28,31)
InChIKeyKNTZFSCQCZYUQB-UHFFFAOYSA-N
MW473.49 g/mol
LogP2.84
Rot. Bonds8

About ethyl 6-(benzylcarbamoyl)-4-hydroxy-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate

ethyl 6-(benzylcarbamoyl)-4-hydroxy-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate (PubChem CID 68673073) has the molecular formula C26H23N3O6 and a molecular weight of 473.49 g/mol. Its IUPAC name is ethyl 6-(benzylcarbamoyl)-4-hydroxy-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(benzylcarbamoyl)-4-hydroxy-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate
PubChem CID68673073
Molecular FormulaC26H23N3O6
Molecular Weight473.49 g/mol
Exact Mass473.16
IUPAC Nameethyl 6-(benzylcarbamoyl)-4-hydroxy-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cc(C(=O)NCc3ccccc3)cnc2n(OCc2ccccc2)c1=O
InChIInChI=1S/C26H23N3O6/c1-2-34-26(33)21-22(30)20-13-19(24(31)28-14-17-9-5-3-6-10-17)15-27-23(20)29(25(21)32)35-16-18-11-7-4-8-12-18/h3-13,15,30H,2,14,16H2,1H3,(H,28,31)
InChIKeyKNTZFSCQCZYUQB-UHFFFAOYSA-N
XLogP2.84
TPSA119.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(benzylcarbamoyl)-4-hydroxy-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-(benzylcarbamoyl)-4-hydroxy-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate (CID 68673073) is ethyl 6-(benzylcarbamoyl)-4-hydroxy-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(benzylcarbamoyl)-4-hydroxy-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(benzylcarbamoyl)-4-hydroxy-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2cc(C(=O)NCc3ccccc3)cnc2n(OCc2ccccc2)c1=O.
What is the InChIKey of ethyl 6-(benzylcarbamoyl)-4-hydroxy-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate?
The InChIKey is KNTZFSCQCZYUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O6/c1-2-34-26(33)21-22(30)20-13-19(24(31)28-14-17-9-5-3-6-10-17)15-27-23(20)29(25(21)32)35-16-18-11-7-4-8-12-18/h3-13,15,30H,2,14,16H2,1H3,(H,28,31).
What are the key properties of ethyl 6-(benzylcarbamoyl)-4-hydroxy-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate?
ethyl 6-(benzylcarbamoyl)-4-hydroxy-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate has a molecular weight of 473.49 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(benzylcarbamoyl)-4-hydroxy-2-oxo-1-phenylmethoxy-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 68673073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).