3-bromo-8-[3-(2-methoxyethoxy)propoxy]-1,5-naphthyridine

C14H17BrN2O3 — CID 103404124

IUPAC3-bromo-8-[3-(2-methoxyethoxy)propoxy]-1,5-naphthyridine
SMILESCOCCOCCCOc1ccnc2cc(Br)cnc12
InChIInChI=1S/C14H17BrN2O3/c1-18-7-8-19-5-2-6-20-13-3-4-16-12-9-11(15)10-17-14(12)13/h3-4,9-10H,2,5-8H2,1H3
InChIKeyXMIIAXNJAGMVCL-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.82
Rot. Bonds8

About 3-bromo-8-[3-(2-methoxyethoxy)propoxy]-1,5-naphthyridine

3-bromo-8-[3-(2-methoxyethoxy)propoxy]-1,5-naphthyridine (PubChem CID 103404124) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 3-bromo-8-[3-(2-methoxyethoxy)propoxy]-1,5-naphthyridine.

Molecular Properties

Compound Name3-bromo-8-[3-(2-methoxyethoxy)propoxy]-1,5-naphthyridine
PubChem CID103404124
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name3-bromo-8-[3-(2-methoxyethoxy)propoxy]-1,5-naphthyridine
SMILESCOCCOCCCOc1ccnc2cc(Br)cnc12
InChIInChI=1S/C14H17BrN2O3/c1-18-7-8-19-5-2-6-20-13-3-4-16-12-9-11(15)10-17-14(12)13/h3-4,9-10H,2,5-8H2,1H3
InChIKeyXMIIAXNJAGMVCL-UHFFFAOYSA-N
XLogP2.82
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-8-[2-(3-methoxypropoxy)ethoxy]-1,5-naphthyridine
CID 103179363
5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine
CID 103400992
5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine
CID 103179380
4-bromo-2-[3-(2-methoxyethoxy)propoxy]aniline
CID 103400937
7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine
CID 133481963
2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene
CID 103409894
3-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5-naphthyridine
CID 102722622
7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine
CID 104891864
1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
CID 103403029
7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine
CID 104891853
1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103409891
2-(7-bromo-1,5-naphthyridin-4-yl)propanoic acid
CID 104571211

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-[3-(2-methoxyethoxy)propoxy]-1,5-naphthyridine?
The IUPAC name of 3-bromo-8-[3-(2-methoxyethoxy)propoxy]-1,5-naphthyridine (CID 103404124) is 3-bromo-8-[3-(2-methoxyethoxy)propoxy]-1,5-naphthyridine.
What is the SMILES notation for 3-bromo-8-[3-(2-methoxyethoxy)propoxy]-1,5-naphthyridine?
The canonical SMILES for 3-bromo-8-[3-(2-methoxyethoxy)propoxy]-1,5-naphthyridine is COCCOCCCOc1ccnc2cc(Br)cnc12.
What is the InChIKey of 3-bromo-8-[3-(2-methoxyethoxy)propoxy]-1,5-naphthyridine?
The InChIKey is XMIIAXNJAGMVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-18-7-8-19-5-2-6-20-13-3-4-16-12-9-11(15)10-17-14(12)13/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of 3-bromo-8-[3-(2-methoxyethoxy)propoxy]-1,5-naphthyridine?
3-bromo-8-[3-(2-methoxyethoxy)propoxy]-1,5-naphthyridine has a molecular weight of 341.21 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-[3-(2-methoxyethoxy)propoxy]-1,5-naphthyridine is sourced from PubChem (CID 103404124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).