7-bromo-8-propoxyquinoline

C12H12BrNO — CID 100612692

IUPAC7-bromo-8-propoxyquinoline
SMILESCCCOc1c(Br)ccc2cccnc12
InChIInChI=1S/C12H12BrNO/c1-2-8-15-12-10(13)6-5-9-4-3-7-14-11(9)12/h3-7H,2,8H2,1H3
InChIKeyJRVUTYUYJKBQNL-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.79
Rot. Bonds3

About 7-bromo-8-propoxyquinoline

7-bromo-8-propoxyquinoline (PubChem CID 100612692) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 7-bromo-8-propoxyquinoline.

Molecular Properties

Compound Name7-bromo-8-propoxyquinoline
PubChem CID100612692
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name7-bromo-8-propoxyquinoline
SMILESCCCOc1c(Br)ccc2cccnc12
InChIInChI=1S/C12H12BrNO/c1-2-8-15-12-10(13)6-5-9-4-3-7-14-11(9)12/h3-7H,2,8H2,1H3
InChIKeyJRVUTYUYJKBQNL-UHFFFAOYSA-N
XLogP3.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-8-(2-methoxyethoxymethoxy)quinoline
CID 10935865
1-bromo-2,3-dipropoxybenzene
CID 91157628
bis(1,10-phenanthroline);ruthenium
CID 15001085
4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine
CID 62597073
5-bromo-8-ethoxyquinoline
CID 100612531
7-bromo-8-piperidin-4-yloxyquinoline
CID 68754211
1-(5-bromoquinolin-8-yl)-2-propoxyethanol
CID 112618151
5,7-diiodo-8-propoxyquinoline
CID 100613865
3-bromo-4-ethoxy-1,5-naphthyridine
CID 171976085
3-(4-propoxyphenyl)-1,10-phenanthroline
CID 174763082
1-bromo-3-methyl-2-propoxybenzene
CID 58352154
3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine
CID 62597922

Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-propoxyquinoline?
The IUPAC name of 7-bromo-8-propoxyquinoline (CID 100612692) is 7-bromo-8-propoxyquinoline.
What is the SMILES notation for 7-bromo-8-propoxyquinoline?
The canonical SMILES for 7-bromo-8-propoxyquinoline is CCCOc1c(Br)ccc2cccnc12.
What is the InChIKey of 7-bromo-8-propoxyquinoline?
The InChIKey is JRVUTYUYJKBQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-2-8-15-12-10(13)6-5-9-4-3-7-14-11(9)12/h3-7H,2,8H2,1H3.
What are the key properties of 7-bromo-8-propoxyquinoline?
7-bromo-8-propoxyquinoline has a molecular weight of 266.14 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-propoxyquinoline is sourced from PubChem (CID 100612692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).