3-(2-bromo-3-fluorophenoxy)-4-methylquinoline

C16H11BrFNO — CID 129079852

IUPAC3-(2-bromo-3-fluorophenoxy)-4-methylquinoline
SMILESCc1c(Oc2cccc(F)c2Br)cnc2ccccc12
InChIInChI=1S/C16H11BrFNO/c1-10-11-5-2-3-7-13(11)19-9-15(10)20-14-8-4-6-12(18)16(14)17/h2-9H,1H3
InChIKeyKOOJBLDHAOYZLD-UHFFFAOYSA-N
MW332.17 g/mol
LogP5.24
Rot. Bonds2

About 3-(2-bromo-3-fluorophenoxy)-4-methylquinoline

3-(2-bromo-3-fluorophenoxy)-4-methylquinoline (PubChem CID 129079852) has the molecular formula C16H11BrFNO and a molecular weight of 332.17 g/mol. Its IUPAC name is 3-(2-bromo-3-fluorophenoxy)-4-methylquinoline.

Molecular Properties

Compound Name3-(2-bromo-3-fluorophenoxy)-4-methylquinoline
PubChem CID129079852
Molecular FormulaC16H11BrFNO
Molecular Weight332.17 g/mol
Exact Mass331.00
IUPAC Name3-(2-bromo-3-fluorophenoxy)-4-methylquinoline
SMILESCc1c(Oc2cccc(F)c2Br)cnc2ccccc12
InChIInChI=1S/C16H11BrFNO/c1-10-11-5-2-3-7-13(11)19-9-15(10)20-14-8-4-6-12(18)16(14)17/h2-9H,1H3
InChIKeyKOOJBLDHAOYZLD-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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Related Compounds

3-(2-bromo-3-fluorophenoxy)-2-(difluoromethyl)quinoline
CID 129079603
5-[(2-bromo-3-fluorophenyl)methoxy]quinoline
CID 103045464
[4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine
CID 63037258
3-bromo-4-fluoroquinoline
CID 130056268
ethane;5-fluoro-3-methylquinoline
CID 156751037
2-(2-bromo-3-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene
CID 169337177
2-(2-fluorophenoxy)quinoxaline
CID 10537993
4-bromo-3-propan-2-ylquinoline
CID 155647294
4-chloro-3-fluoroquinoline
CID 22284824
4-methyl-3-(4-methylphenyl)quinoline
CID 59375945
(2-methyl-3-quinolin-4-yloxyphenyl)methanone;yttrium
CID 166050630
[(2-bromo-3-fluorophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105326935

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-fluorophenoxy)-4-methylquinoline?
The IUPAC name of 3-(2-bromo-3-fluorophenoxy)-4-methylquinoline (CID 129079852) is 3-(2-bromo-3-fluorophenoxy)-4-methylquinoline.
What is the SMILES notation for 3-(2-bromo-3-fluorophenoxy)-4-methylquinoline?
The canonical SMILES for 3-(2-bromo-3-fluorophenoxy)-4-methylquinoline is Cc1c(Oc2cccc(F)c2Br)cnc2ccccc12.
What is the InChIKey of 3-(2-bromo-3-fluorophenoxy)-4-methylquinoline?
The InChIKey is KOOJBLDHAOYZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO/c1-10-11-5-2-3-7-13(11)19-9-15(10)20-14-8-4-6-12(18)16(14)17/h2-9H,1H3.
What are the key properties of 3-(2-bromo-3-fluorophenoxy)-4-methylquinoline?
3-(2-bromo-3-fluorophenoxy)-4-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-bromo-3-fluorophenoxy)-4-methylquinoline is sourced from PubChem (CID 129079852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).