7-[4-(bromomethyl)-2-chlorophenoxy]quinoline

C16H11BrClNO — CID 107314175

IUPAC7-[4-(bromomethyl)-2-chlorophenoxy]quinoline
SMILESClc1cc(CBr)ccc1Oc1ccc2cccnc2c1
InChIInChI=1S/C16H11BrClNO/c17-10-11-3-6-16(14(18)8-11)20-13-5-4-12-2-1-7-19-15(12)9-13/h1-9H,10H2
InChIKeyAAVPLUDCFGZZIX-UHFFFAOYSA-N
MW348.63 g/mol
LogP5.58
Rot. Bonds3

About 7-[4-(bromomethyl)-2-chlorophenoxy]quinoline

7-[4-(bromomethyl)-2-chlorophenoxy]quinoline (PubChem CID 107314175) has the molecular formula C16H11BrClNO and a molecular weight of 348.63 g/mol. Its IUPAC name is 7-[4-(bromomethyl)-2-chlorophenoxy]quinoline.

Molecular Properties

Compound Name7-[4-(bromomethyl)-2-chlorophenoxy]quinoline
PubChem CID107314175
Molecular FormulaC16H11BrClNO
Molecular Weight348.63 g/mol
Exact Mass346.97
IUPAC Name7-[4-(bromomethyl)-2-chlorophenoxy]quinoline
SMILESClc1cc(CBr)ccc1Oc1ccc2cccnc2c1
InChIInChI=1S/C16H11BrClNO/c17-10-11-3-6-16(14(18)8-11)20-13-5-4-12-2-1-7-19-15(12)9-13/h1-9H,10H2
InChIKeyAAVPLUDCFGZZIX-UHFFFAOYSA-N
XLogP5.58
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 ≤ 55.58
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

7-[2-chloro-4-(chloromethyl)phenoxy]quinoline
CID 107314157
7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline
CID 107314168
3-chloro-4-quinolin-7-yloxybenzoic acid
CID 107314076
7-[2-(bromomethyl)phenoxy]quinoline
CID 107314164
7-[4-(chloromethyl)-2-fluorophenoxy]quinoline
CID 107314176
4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene
CID 107086354
3-chloro-4-quinolin-6-yloxyaniline
CID 13490789
7-[5-bromo-2-(chloromethyl)phenoxy]quinoline
CID 107314156
8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline
CID 63536066
7-[(2-chloro-4-pyridinyl)oxy]quinoline
CID 107313588
1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene
CID 107088717
7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline
CID 107314495

Frequently Asked Questions

What is the IUPAC name of 7-[4-(bromomethyl)-2-chlorophenoxy]quinoline?
The IUPAC name of 7-[4-(bromomethyl)-2-chlorophenoxy]quinoline (CID 107314175) is 7-[4-(bromomethyl)-2-chlorophenoxy]quinoline.
What is the SMILES notation for 7-[4-(bromomethyl)-2-chlorophenoxy]quinoline?
The canonical SMILES for 7-[4-(bromomethyl)-2-chlorophenoxy]quinoline is Clc1cc(CBr)ccc1Oc1ccc2cccnc2c1.
What is the InChIKey of 7-[4-(bromomethyl)-2-chlorophenoxy]quinoline?
The InChIKey is AAVPLUDCFGZZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO/c17-10-11-3-6-16(14(18)8-11)20-13-5-4-12-2-1-7-19-15(12)9-13/h1-9H,10H2.
What are the key properties of 7-[4-(bromomethyl)-2-chlorophenoxy]quinoline?
7-[4-(bromomethyl)-2-chlorophenoxy]quinoline has a molecular weight of 348.63 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(bromomethyl)-2-chlorophenoxy]quinoline is sourced from PubChem (CID 107314175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).