6-bromo-2-dimethoxyphosphorylquinoline

C11H11BrNO3P — CID 132501798

IUPAC6-bromo-2-dimethoxyphosphorylquinoline
SMILESCOP(=O)(OC)c1ccc2cc(Br)ccc2n1
InChIInChI=1S/C11H11BrNO3P/c1-15-17(14,16-2)11-6-3-8-7-9(12)4-5-10(8)13-11/h3-7H,1-2H3
InChIKeyRLYGKKAVQMXIFC-UHFFFAOYSA-N
MW316.09 g/mol
LogP3.11
Rot. Bonds3

About 6-bromo-2-dimethoxyphosphorylquinoline

6-bromo-2-dimethoxyphosphorylquinoline (PubChem CID 132501798) has the molecular formula C11H11BrNO3P and a molecular weight of 316.09 g/mol. Its IUPAC name is 6-bromo-2-dimethoxyphosphorylquinoline.

Molecular Properties

Compound Name6-bromo-2-dimethoxyphosphorylquinoline
PubChem CID132501798
Molecular FormulaC11H11BrNO3P
Molecular Weight316.09 g/mol
Exact Mass314.97
IUPAC Name6-bromo-2-dimethoxyphosphorylquinoline
SMILESCOP(=O)(OC)c1ccc2cc(Br)ccc2n1
InChIInChI=1S/C11H11BrNO3P/c1-15-17(14,16-2)11-6-3-8-7-9(12)4-5-10(8)13-11/h3-7H,1-2H3
InChIKeyRLYGKKAVQMXIFC-UHFFFAOYSA-N
XLogP3.11
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.09
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(tribromomethyl)quinoline
CID 59321582
2,6-dibromo-3-methylquinoline
CID 39423757
6-bromo-2-(3-methoxyphenyl)quinoline
CID 53443478
methyl (3S)-3-amino-3-(6-bromoquinolin-2-yl)propanoate
CID 165347669
2-(6-bromoquinolin-2-yl)oxyacetaldehyde
CID 54381903
6-bromo-2-(2,2-dimethylpropoxy)quinoline
CID 177434912
azane;6-bromophthalazine
CID 87747021
6-bromo-2-(iodomethyl)quinoline
CID 89441334
(6-bromoquinolin-2-yl)hydrazine
CID 53403025
2,6-dibromonaphthalene
CID 640591
6-bromo-2-methoxy-3-(4-nitrophenyl)quinoline
CID 171566035
6-bromo-2-chloroquinazoline;ethane
CID 143712376

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-dimethoxyphosphorylquinoline?
The IUPAC name of 6-bromo-2-dimethoxyphosphorylquinoline (CID 132501798) is 6-bromo-2-dimethoxyphosphorylquinoline.
What is the SMILES notation for 6-bromo-2-dimethoxyphosphorylquinoline?
The canonical SMILES for 6-bromo-2-dimethoxyphosphorylquinoline is COP(=O)(OC)c1ccc2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-dimethoxyphosphorylquinoline?
The InChIKey is RLYGKKAVQMXIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrNO3P/c1-15-17(14,16-2)11-6-3-8-7-9(12)4-5-10(8)13-11/h3-7H,1-2H3.
What are the key properties of 6-bromo-2-dimethoxyphosphorylquinoline?
6-bromo-2-dimethoxyphosphorylquinoline has a molecular weight of 316.09 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-dimethoxyphosphorylquinoline is sourced from PubChem (CID 132501798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).