7-[5-bromo-2-(chloromethyl)phenoxy]quinoline

C16H11BrClNO — CID 107314156

IUPAC7-[5-bromo-2-(chloromethyl)phenoxy]quinoline
SMILESClCc1ccc(Br)cc1Oc1ccc2cccnc2c1
InChIInChI=1S/C16H11BrClNO/c17-13-5-3-12(10-18)16(8-13)20-14-6-4-11-2-1-7-19-15(11)9-14/h1-9H,10H2
InChIKeyQCDYLVRRFTVDGF-UHFFFAOYSA-N
MW348.63 g/mol
LogP5.53
Rot. Bonds3

About 7-[5-bromo-2-(chloromethyl)phenoxy]quinoline

7-[5-bromo-2-(chloromethyl)phenoxy]quinoline (PubChem CID 107314156) has the molecular formula C16H11BrClNO and a molecular weight of 348.63 g/mol. Its IUPAC name is 7-[5-bromo-2-(chloromethyl)phenoxy]quinoline.

Molecular Properties

Compound Name7-[5-bromo-2-(chloromethyl)phenoxy]quinoline
PubChem CID107314156
Molecular FormulaC16H11BrClNO
Molecular Weight348.63 g/mol
Exact Mass346.97
IUPAC Name7-[5-bromo-2-(chloromethyl)phenoxy]quinoline
SMILESClCc1ccc(Br)cc1Oc1ccc2cccnc2c1
InChIInChI=1S/C16H11BrClNO/c17-13-5-3-12(10-18)16(8-13)20-14-6-4-11-2-1-7-19-15(11)9-14/h1-9H,10H2
InChIKeyQCDYLVRRFTVDGF-UHFFFAOYSA-N
XLogP5.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.63
LogP ≤ 55.53
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

2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine
CID 107315464
7-[2-(bromomethyl)phenoxy]quinoline
CID 107314164
7-[2-chloro-4-(chloromethyl)phenoxy]quinoline
CID 107314157
7-[4-(chloromethyl)-2-fluorophenoxy]quinoline
CID 107314176
4-bromo-1-(chloromethyl)-2-(4-chlorophenoxy)benzene
CID 43174130
4-bromo-1-(chloromethyl)-2-(3-chlorophenoxy)benzene
CID 43365197
7-[4-(bromomethyl)-2-chlorophenoxy]quinoline
CID 107314175
(4-bromo-2-naphthalen-2-yloxyphenyl)methanamine
CID 43364990
(2-methyl-4-quinolin-7-yloxyphenyl)methanol
CID 107314118
7-pyridin-4-yloxyquinoline
CID 141187990
7-(dichloromethoxy)quinoline
CID 174788382
7-[(2-chloro-4-pyridinyl)oxy]quinoline
CID 107313588

Frequently Asked Questions

What is the IUPAC name of 7-[5-bromo-2-(chloromethyl)phenoxy]quinoline?
The IUPAC name of 7-[5-bromo-2-(chloromethyl)phenoxy]quinoline (CID 107314156) is 7-[5-bromo-2-(chloromethyl)phenoxy]quinoline.
What is the SMILES notation for 7-[5-bromo-2-(chloromethyl)phenoxy]quinoline?
The canonical SMILES for 7-[5-bromo-2-(chloromethyl)phenoxy]quinoline is ClCc1ccc(Br)cc1Oc1ccc2cccnc2c1.
What is the InChIKey of 7-[5-bromo-2-(chloromethyl)phenoxy]quinoline?
The InChIKey is QCDYLVRRFTVDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO/c17-13-5-3-12(10-18)16(8-13)20-14-6-4-11-2-1-7-19-15(11)9-14/h1-9H,10H2.
What are the key properties of 7-[5-bromo-2-(chloromethyl)phenoxy]quinoline?
7-[5-bromo-2-(chloromethyl)phenoxy]quinoline has a molecular weight of 348.63 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-bromo-2-(chloromethyl)phenoxy]quinoline is sourced from PubChem (CID 107314156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).