ethyl 8-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]-1,6-naphthyridine-2-carboxylate

C24H26N2O5 — CID 66730470

IUPACethyl 8-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]-1,6-naphthyridine-2-carboxylate
SMILESCCOC(=O)c1ccc2cncc(-c3ccc(OCCOC4CCOCC4)cc3)c2n1
InChIInChI=1S/C24H26N2O5/c1-2-29-24(27)22-8-5-18-15-25-16-21(23(18)26-22)17-3-6-19(7-4-17)30-13-14-31-20-9-11-28-12-10-20/h3-8,15-16,20H,2,9-14H2,1H3
InChIKeyIKOKRPCXWBNXCE-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.05
Rot. Bonds8

About ethyl 8-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]-1,6-naphthyridine-2-carboxylate

ethyl 8-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]-1,6-naphthyridine-2-carboxylate (PubChem CID 66730470) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is ethyl 8-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]-1,6-naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]-1,6-naphthyridine-2-carboxylate
PubChem CID66730470
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Nameethyl 8-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]-1,6-naphthyridine-2-carboxylate
SMILESCCOC(=O)c1ccc2cncc(-c3ccc(OCCOC4CCOCC4)cc3)c2n1
InChIInChI=1S/C24H26N2O5/c1-2-29-24(27)22-8-5-18-15-25-16-21(23(18)26-22)17-3-6-19(7-4-17)30-13-14-31-20-9-11-28-12-10-20/h3-8,15-16,20H,2,9-14H2,1H3
InChIKeyIKOKRPCXWBNXCE-UHFFFAOYSA-N
XLogP4.05
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]isoquinoline-6-carboxamide
CID 46940979
2-[4-[2-(ethenylcarbamoyl)-1,6-naphthyridin-8-yl]phenoxy]ethyl morpholine-4-carboxylate
CID 162247525
1-(2-cyclopropyloxyethoxy)-4-methylbenzene
CID 153135187
methyl 2-(aminomethyl)-5-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]pyridine-4-carboxylate
CID 177176255
1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide
CID 177176510
2-chloro-3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]-1-benzofuran-5-carboxamide
CID 146465907
methyl 1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxylate
CID 177176292
ethyl 4-[3-[4-[2-(oxan-4-yloxy)ethoxy]piperidin-1-yl]imidazo[1,2-a]pyridin-7-yl]benzoate
CID 71236972
ethyl 5-[4-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxylate
CID 169401626
1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one
CID 112583867
6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]-1-(trideuteriomethyl)indazole-5-carboxamide
CID 177176588
ethyl 6,8-dimethylquinoline-2-carboxylate
CID 102310352

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]-1,6-naphthyridine-2-carboxylate?
The IUPAC name of ethyl 8-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]-1,6-naphthyridine-2-carboxylate (CID 66730470) is ethyl 8-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]-1,6-naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 8-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]-1,6-naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 8-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]-1,6-naphthyridine-2-carboxylate is CCOC(=O)c1ccc2cncc(-c3ccc(OCCOC4CCOCC4)cc3)c2n1.
What is the InChIKey of ethyl 8-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]-1,6-naphthyridine-2-carboxylate?
The InChIKey is IKOKRPCXWBNXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-2-29-24(27)22-8-5-18-15-25-16-21(23(18)26-22)17-3-6-19(7-4-17)30-13-14-31-20-9-11-28-12-10-20/h3-8,15-16,20H,2,9-14H2,1H3.
What are the key properties of ethyl 8-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]-1,6-naphthyridine-2-carboxylate?
ethyl 8-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]-1,6-naphthyridine-2-carboxylate has a molecular weight of 422.48 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]-1,6-naphthyridine-2-carboxylate is sourced from PubChem (CID 66730470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).