3-[4-chloro-2-(chloromethyl)phenoxy]quinoline

C16H11Cl2NO — CID 107387584

IUPAC3-[4-chloro-2-(chloromethyl)phenoxy]quinoline
SMILESClCc1cc(Cl)ccc1Oc1cnc2ccccc2c1
InChIInChI=1S/C16H11Cl2NO/c17-9-12-7-13(18)5-6-16(12)20-14-8-11-3-1-2-4-15(11)19-10-14/h1-8,10H,9H2
InChIKeyNXLBWEREAQOYON-UHFFFAOYSA-N
MW304.18 g/mol
LogP5.42
Rot. Bonds3

About 3-[4-chloro-2-(chloromethyl)phenoxy]quinoline

3-[4-chloro-2-(chloromethyl)phenoxy]quinoline (PubChem CID 107387584) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is 3-[4-chloro-2-(chloromethyl)phenoxy]quinoline.

Molecular Properties

Compound Name3-[4-chloro-2-(chloromethyl)phenoxy]quinoline
PubChem CID107387584
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name3-[4-chloro-2-(chloromethyl)phenoxy]quinoline
SMILESClCc1cc(Cl)ccc1Oc1cnc2ccccc2c1
InChIInChI=1S/C16H11Cl2NO/c17-9-12-7-13(18)5-6-16(12)20-14-8-11-3-1-2-4-15(11)19-10-14/h1-8,10H,9H2
InChIKeyNXLBWEREAQOYON-UHFFFAOYSA-N
XLogP5.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.18
LogP ≤ 55.42
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

5-chloro-2-quinolin-3-yloxyaniline
CID 107386897
3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline
CID 107387701
3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 107387690
5-chloro-2-quinolin-3-yloxybenzenecarboximidamide
CID 107387242
3-[(2,4-dichlorophenyl)methoxy]quinoline
CID 107388172
3-[[6-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 107387696
8-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 114847000
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine
CID 62699009
4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene
CID 114846972
2-chloro-6-quinolin-3-yloxybenzoic acid
CID 107387494
(2-chloro-4-quinolin-3-yloxyphenyl)methanamine
CID 107386840
(1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine
CID 107387284

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-(chloromethyl)phenoxy]quinoline?
The IUPAC name of 3-[4-chloro-2-(chloromethyl)phenoxy]quinoline (CID 107387584) is 3-[4-chloro-2-(chloromethyl)phenoxy]quinoline.
What is the SMILES notation for 3-[4-chloro-2-(chloromethyl)phenoxy]quinoline?
The canonical SMILES for 3-[4-chloro-2-(chloromethyl)phenoxy]quinoline is ClCc1cc(Cl)ccc1Oc1cnc2ccccc2c1.
What is the InChIKey of 3-[4-chloro-2-(chloromethyl)phenoxy]quinoline?
The InChIKey is NXLBWEREAQOYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c17-9-12-7-13(18)5-6-16(12)20-14-8-11-3-1-2-4-15(11)19-10-14/h1-8,10H,9H2.
What are the key properties of 3-[4-chloro-2-(chloromethyl)phenoxy]quinoline?
3-[4-chloro-2-(chloromethyl)phenoxy]quinoline has a molecular weight of 304.18 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-(chloromethyl)phenoxy]quinoline is sourced from PubChem (CID 107387584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).