3-(2-bromophenoxy)-8-fluoro-2-methylquinoline

C16H11BrFNO — CID 129079654

IUPAC3-(2-bromophenoxy)-8-fluoro-2-methylquinoline
SMILESCc1nc2c(F)cccc2cc1Oc1ccccc1Br
InChIInChI=1S/C16H11BrFNO/c1-10-15(20-14-8-3-2-6-12(14)17)9-11-5-4-7-13(18)16(11)19-10/h2-9H,1H3
InChIKeyWKAVYYWVVXRYIY-UHFFFAOYSA-N
MW332.17 g/mol
LogP5.24
Rot. Bonds2

About 3-(2-bromophenoxy)-8-fluoro-2-methylquinoline

3-(2-bromophenoxy)-8-fluoro-2-methylquinoline (PubChem CID 129079654) has the molecular formula C16H11BrFNO and a molecular weight of 332.17 g/mol. Its IUPAC name is 3-(2-bromophenoxy)-8-fluoro-2-methylquinoline.

Molecular Properties

Compound Name3-(2-bromophenoxy)-8-fluoro-2-methylquinoline
PubChem CID129079654
Molecular FormulaC16H11BrFNO
Molecular Weight332.17 g/mol
Exact Mass331.00
IUPAC Name3-(2-bromophenoxy)-8-fluoro-2-methylquinoline
SMILESCc1nc2c(F)cccc2cc1Oc1ccccc1Br
InChIInChI=1S/C16H11BrFNO/c1-10-15(20-14-8-3-2-6-12(14)17)9-11-5-4-7-13(18)16(11)19-10/h2-9H,1H3
InChIKeyWKAVYYWVVXRYIY-UHFFFAOYSA-N
XLogP5.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.17
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenoxy)-8-fluoro-2-methylquinoline?
The IUPAC name of 3-(2-bromophenoxy)-8-fluoro-2-methylquinoline (CID 129079654) is 3-(2-bromophenoxy)-8-fluoro-2-methylquinoline.
What is the SMILES notation for 3-(2-bromophenoxy)-8-fluoro-2-methylquinoline?
The canonical SMILES for 3-(2-bromophenoxy)-8-fluoro-2-methylquinoline is Cc1nc2c(F)cccc2cc1Oc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenoxy)-8-fluoro-2-methylquinoline?
The InChIKey is WKAVYYWVVXRYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO/c1-10-15(20-14-8-3-2-6-12(14)17)9-11-5-4-7-13(18)16(11)19-10/h2-9H,1H3.
What are the key properties of 3-(2-bromophenoxy)-8-fluoro-2-methylquinoline?
3-(2-bromophenoxy)-8-fluoro-2-methylquinoline has a molecular weight of 332.17 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenoxy)-8-fluoro-2-methylquinoline is sourced from PubChem (CID 129079654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).