4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline

C16H10BrClFNO — CID 63445972

IUPAC4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline
SMILESFc1ccc(Oc2cc(CCl)nc3ccccc23)c(Br)c1
InChIInChI=1S/C16H10BrClFNO/c17-13-7-10(19)5-6-15(13)21-16-8-11(9-18)20-14-4-2-1-3-12(14)16/h1-8H,9H2
InChIKeyVFPFUBGKKSYGAN-UHFFFAOYSA-N
MW366.62 g/mol
LogP5.67
Rot. Bonds3

About 4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline

4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline (PubChem CID 63445972) has the molecular formula C16H10BrClFNO and a molecular weight of 366.62 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline
PubChem CID63445972
Molecular FormulaC16H10BrClFNO
Molecular Weight366.62 g/mol
Exact Mass364.96
IUPAC Name4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline
SMILESFc1ccc(Oc2cc(CCl)nc3ccccc23)c(Br)c1
InChIInChI=1S/C16H10BrClFNO/c17-13-7-10(19)5-6-15(13)21-16-8-11(9-18)20-14-4-2-1-3-12(14)16/h1-8H,9H2
InChIKeyVFPFUBGKKSYGAN-UHFFFAOYSA-N
XLogP5.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine
CID 63377591
2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline
CID 63446146
2-(chloromethyl)-4-methoxyquinoline
CID 63375679
2-(chloromethyl)-4-(4-iodophenoxy)quinoline
CID 63446807
2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene
CID 114062604
1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene
CID 28946983
[4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine
CID 65201195
[2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine
CID 28965989
4-butoxy-2-(chloromethyl)quinoline
CID 63375315
[4-(2-chlorophenoxy)quinolin-2-yl]methanol
CID 63375932
2-(2-bromophenoxy)-4-(chloromethyl)quinoline
CID 63446400
[4-(2,3-difluorophenoxy)quinolin-2-yl]methanol
CID 63375849

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline?
The IUPAC name of 4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline (CID 63445972) is 4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline.
What is the SMILES notation for 4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline?
The canonical SMILES for 4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline is Fc1ccc(Oc2cc(CCl)nc3ccccc23)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline?
The InChIKey is VFPFUBGKKSYGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClFNO/c17-13-7-10(19)5-6-15(13)21-16-8-11(9-18)20-14-4-2-1-3-12(14)16/h1-8H,9H2.
What are the key properties of 4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline?
4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline has a molecular weight of 366.62 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline is sourced from PubChem (CID 63445972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).