4-[(2-chlorophenoxy)methyl]quinoline

C16H12ClNO — CID 79241295

IUPAC4-[(2-chlorophenoxy)methyl]quinoline
SMILESClc1ccccc1OCc1ccnc2ccccc12
InChIInChI=1S/C16H12ClNO/c17-14-6-2-4-8-16(14)19-11-12-9-10-18-15-7-3-1-5-13(12)15/h1-10H,11H2
InChIKeyXIAKZBQFSSVVLI-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.47
Rot. Bonds3

About 4-[(2-chlorophenoxy)methyl]quinoline

4-[(2-chlorophenoxy)methyl]quinoline (PubChem CID 79241295) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]quinoline.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]quinoline
PubChem CID79241295
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name4-[(2-chlorophenoxy)methyl]quinoline
SMILESClc1ccccc1OCc1ccnc2ccccc12
InChIInChI=1S/C16H12ClNO/c17-14-6-2-4-8-16(14)19-11-12-9-10-18-15-7-3-1-5-13(12)15/h1-10H,11H2
InChIKeyXIAKZBQFSSVVLI-UHFFFAOYSA-N
XLogP4.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-(quinolin-4-ylmethoxy)benzonitrile
CID 79230623
3-chloro-2-(quinolin-4-ylmethoxy)aniline
CID 107716069
3,5-dichloro-4-(quinolin-4-ylmethoxy)aniline
CID 79234359
(1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol
CID 79231192
[3-bromo-4-(quinolin-4-ylmethoxy)phenyl]methanol
CID 79231186
4-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline
CID 79231453
3-fluoro-4-(quinolin-4-ylmethoxy)aniline
CID 79235627
5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline
CID 103044604
quinolin-4-ylmethyl hydrogen carbonate
CID 154246402
4-(2-chlorophenoxy)quinazoline
CID 31538122
8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
3-[(2-chlorophenoxy)methyl]-1-benzothiophen-7-amine
CID 117181514

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]quinoline?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]quinoline (CID 79241295) is 4-[(2-chlorophenoxy)methyl]quinoline.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]quinoline?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]quinoline is Clc1ccccc1OCc1ccnc2ccccc12.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]quinoline?
The InChIKey is XIAKZBQFSSVVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-14-6-2-4-8-16(14)19-11-12-9-10-18-15-7-3-1-5-13(12)15/h1-10H,11H2.
What are the key properties of 4-[(2-chlorophenoxy)methyl]quinoline?
4-[(2-chlorophenoxy)methyl]quinoline has a molecular weight of 269.73 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]quinoline is sourced from PubChem (CID 79241295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).