[2-(6-bromoquinolin-4-yl)oxy-4-chloro-3-fluorophenyl]methanol

C16H10BrClFNO2 — CID 164910239

IUPAC[2-(6-bromoquinolin-4-yl)oxy-4-chloro-3-fluorophenyl]methanol
SMILESOCc1ccc(Cl)c(F)c1Oc1ccnc2ccc(Br)cc12
InChIInChI=1S/C16H10BrClFNO2/c17-10-2-4-13-11(7-10)14(5-6-20-13)22-16-9(8-21)1-3-12(18)15(16)19/h1-7,21H,8H2
InChIKeyKBBDAFCIJOCETM-UHFFFAOYSA-N
MW382.62 g/mol
LogP5.07
Rot. Bonds3

About [2-(6-bromoquinolin-4-yl)oxy-4-chloro-3-fluorophenyl]methanol

[2-(6-bromoquinolin-4-yl)oxy-4-chloro-3-fluorophenyl]methanol (PubChem CID 164910239) has the molecular formula C16H10BrClFNO2 and a molecular weight of 382.62 g/mol. Its IUPAC name is [2-(6-bromoquinolin-4-yl)oxy-4-chloro-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(6-bromoquinolin-4-yl)oxy-4-chloro-3-fluorophenyl]methanol
PubChem CID164910239
Molecular FormulaC16H10BrClFNO2
Molecular Weight382.62 g/mol
Exact Mass380.96
IUPAC Name[2-(6-bromoquinolin-4-yl)oxy-4-chloro-3-fluorophenyl]methanol
SMILESOCc1ccc(Cl)c(F)c1Oc1ccnc2ccc(Br)cc12
InChIInChI=1S/C16H10BrClFNO2/c17-10-2-4-13-11(7-10)14(5-6-20-13)22-16-9(8-21)1-3-12(18)15(16)19/h1-7,21H,8H2
InChIKeyKBBDAFCIJOCETM-UHFFFAOYSA-N
XLogP5.07
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.62
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-Chloro-4-(4-fluorophenoxy)quinoline
CID 164171
Quinoline, 7-chloro-4-(2-(trifluoromethyl)phenoxy)-
CID 164173
Quinoline, 4-(2-(3-chlorophenyl)ethoxy)-8-fluoro-
CID 164187
Quinoline, 7-chloro-4-(1-(2-fluorophenyl)ethoxy)-
CID 164193
4-(4-Bromo-2-fluorophenoxy)-7-chloroquinoline
CID 2456945
4-(4-Bromophenoxy)-7-chloroquinoline
CID 4826148
(6-Bromo-2-methoxyquinolin-3-yl)(3-chloro-4-fluorophenyl)methanol
CID 45505683
8-Bromo-4-(4-fluorophenoxy)quinoline
CID 17874714
3-Bromo-7-chloro-4-(2,4-difluorophenoxy)quinoline
CID 17874725
3-Bromo-4-(2-bromo-4-fluorophenoxy)-7-chloroquinoline
CID 17874727
3-Bromo-7-chloro-4-(4-fluorophenoxy)quinoline
CID 17874728
3-Bromo-7-chloro-4-(2-chloro-4-fluorophenoxy)quinoline
CID 17874744

Frequently Asked Questions

What is the IUPAC name of [2-(6-bromoquinolin-4-yl)oxy-4-chloro-3-fluorophenyl]methanol?
The IUPAC name of [2-(6-bromoquinolin-4-yl)oxy-4-chloro-3-fluorophenyl]methanol (CID 164910239) is [2-(6-bromoquinolin-4-yl)oxy-4-chloro-3-fluorophenyl]methanol.
What is the SMILES notation for [2-(6-bromoquinolin-4-yl)oxy-4-chloro-3-fluorophenyl]methanol?
The canonical SMILES for [2-(6-bromoquinolin-4-yl)oxy-4-chloro-3-fluorophenyl]methanol is OCc1ccc(Cl)c(F)c1Oc1ccnc2ccc(Br)cc12.
What is the InChIKey of [2-(6-bromoquinolin-4-yl)oxy-4-chloro-3-fluorophenyl]methanol?
The InChIKey is KBBDAFCIJOCETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClFNO2/c17-10-2-4-13-11(7-10)14(5-6-20-13)22-16-9(8-21)1-3-12(18)15(16)19/h1-7,21H,8H2.
What are the key properties of [2-(6-bromoquinolin-4-yl)oxy-4-chloro-3-fluorophenyl]methanol?
[2-(6-bromoquinolin-4-yl)oxy-4-chloro-3-fluorophenyl]methanol has a molecular weight of 382.62 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-bromoquinolin-4-yl)oxy-4-chloro-3-fluorophenyl]methanol is sourced from PubChem (CID 164910239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).