7-bromo-6-methylquinoline;6-fluoro-5-methylquinoline

C20H16BrFN2 — CID 162152357

IUPAC7-bromo-6-methylquinoline;6-fluoro-5-methylquinoline
SMILESCc1c(F)ccc2ncccc12.Cc1cc2cccnc2cc1Br
InChIInChI=1S/C10H8BrN.C10H8FN/c1-7-5-8-3-2-4-12-10(8)6-9(7)11;1-7-8-3-2-6-12-10(8)5-4-9(7)11/h2*2-6H,1H3
InChIKeyZLJNHZJZIRIDQX-UHFFFAOYSA-N
MW383.26 g/mol
LogP5.99
Rot. Bonds

About 7-bromo-6-methylquinoline;6-fluoro-5-methylquinoline

7-bromo-6-methylquinoline;6-fluoro-5-methylquinoline (PubChem CID 162152357) has the molecular formula C20H16BrFN2 and a molecular weight of 383.26 g/mol. Its IUPAC name is 7-bromo-6-methylquinoline;6-fluoro-5-methylquinoline.

Molecular Properties

Compound Name7-bromo-6-methylquinoline;6-fluoro-5-methylquinoline
PubChem CID162152357
Molecular FormulaC20H16BrFN2
Molecular Weight383.26 g/mol
Exact Mass382.05
IUPAC Name7-bromo-6-methylquinoline;6-fluoro-5-methylquinoline
SMILESCc1c(F)ccc2ncccc12.Cc1cc2cccnc2cc1Br
InChIInChI=1S/C10H8BrN.C10H8FN/c1-7-5-8-3-2-4-12-10(8)6-9(7)11;1-7-8-3-2-6-12-10(8)5-4-9(7)11/h2*2-6H,1H3
InChIKeyZLJNHZJZIRIDQX-UHFFFAOYSA-N
XLogP5.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.26
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methylquinoline;6-fluoro-5-methylquinoline?
The IUPAC name of 7-bromo-6-methylquinoline;6-fluoro-5-methylquinoline (CID 162152357) is 7-bromo-6-methylquinoline;6-fluoro-5-methylquinoline.
What is the SMILES notation for 7-bromo-6-methylquinoline;6-fluoro-5-methylquinoline?
The canonical SMILES for 7-bromo-6-methylquinoline;6-fluoro-5-methylquinoline is Cc1c(F)ccc2ncccc12.Cc1cc2cccnc2cc1Br.
What is the InChIKey of 7-bromo-6-methylquinoline;6-fluoro-5-methylquinoline?
The InChIKey is ZLJNHZJZIRIDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN.C10H8FN/c1-7-5-8-3-2-4-12-10(8)6-9(7)11;1-7-8-3-2-6-12-10(8)5-4-9(7)11/h2*2-6H,1H3.
What are the key properties of 7-bromo-6-methylquinoline;6-fluoro-5-methylquinoline?
7-bromo-6-methylquinoline;6-fluoro-5-methylquinoline has a molecular weight of 383.26 g/mol, XLogP of 5.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-methylquinoline;6-fluoro-5-methylquinoline is sourced from PubChem (CID 162152357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).