7-bromo-8-(2-methoxyethoxymethoxy)-5-methylquinoline

C14H16BrNO3 — CID 57425183

IUPAC7-bromo-8-(2-methoxyethoxymethoxy)-5-methylquinoline
SMILESCOCCOCOc1c(Br)cc(C)c2cccnc12
InChIInChI=1S/C14H16BrNO3/c1-10-8-12(15)14(19-9-18-7-6-17-2)13-11(10)4-3-5-16-13/h3-5,8H,6-7,9H2,1-2H3
InChIKeyXZJGKCOAKSDOBR-UHFFFAOYSA-N
MW326.19 g/mol
LogP3.31
Rot. Bonds6

About 7-bromo-8-(2-methoxyethoxymethoxy)-5-methylquinoline

7-bromo-8-(2-methoxyethoxymethoxy)-5-methylquinoline (PubChem CID 57425183) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is 7-bromo-8-(2-methoxyethoxymethoxy)-5-methylquinoline.

Molecular Properties

Compound Name7-bromo-8-(2-methoxyethoxymethoxy)-5-methylquinoline
PubChem CID57425183
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name7-bromo-8-(2-methoxyethoxymethoxy)-5-methylquinoline
SMILESCOCCOCOc1c(Br)cc(C)c2cccnc12
InChIInChI=1S/C14H16BrNO3/c1-10-8-12(15)14(19-9-18-7-6-17-2)13-11(10)4-3-5-16-13/h3-5,8H,6-7,9H2,1-2H3
InChIKeyXZJGKCOAKSDOBR-UHFFFAOYSA-N
XLogP3.31
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-(2-methoxyethoxymethoxy)-5-methylquinoline?
The IUPAC name of 7-bromo-8-(2-methoxyethoxymethoxy)-5-methylquinoline (CID 57425183) is 7-bromo-8-(2-methoxyethoxymethoxy)-5-methylquinoline.
What is the SMILES notation for 7-bromo-8-(2-methoxyethoxymethoxy)-5-methylquinoline?
The canonical SMILES for 7-bromo-8-(2-methoxyethoxymethoxy)-5-methylquinoline is COCCOCOc1c(Br)cc(C)c2cccnc12.
What is the InChIKey of 7-bromo-8-(2-methoxyethoxymethoxy)-5-methylquinoline?
The InChIKey is XZJGKCOAKSDOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3/c1-10-8-12(15)14(19-9-18-7-6-17-2)13-11(10)4-3-5-16-13/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of 7-bromo-8-(2-methoxyethoxymethoxy)-5-methylquinoline?
7-bromo-8-(2-methoxyethoxymethoxy)-5-methylquinoline has a molecular weight of 326.19 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-(2-methoxyethoxymethoxy)-5-methylquinoline is sourced from PubChem (CID 57425183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).