2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline

C24H20ClNO2 — CID 14650385

IUPAC2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESClCc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C24H20ClNO2/c25-15-19-6-1-2-7-20(19)16-27-22-11-13-23(14-12-22)28-17-21-10-9-18-5-3-4-8-24(18)26-21/h1-14H,15-17H2
InChIKeyOVWHFYRFUFIJTB-UHFFFAOYSA-N
MW389.88 g/mol
LogP6.13
Rot. Bonds7

About 2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline

2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline (PubChem CID 14650385) has the molecular formula C24H20ClNO2 and a molecular weight of 389.88 g/mol. Its IUPAC name is 2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline
PubChem CID14650385
Molecular FormulaC24H20ClNO2
Molecular Weight389.88 g/mol
Exact Mass389.12
IUPAC Name2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESClCc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C24H20ClNO2/c25-15-19-6-1-2-7-20(19)16-27-22-11-13-23(14-12-22)28-17-21-10-9-18-5-3-4-8-24(18)26-21/h1-14H,15-17H2
InChIKeyOVWHFYRFUFIJTB-UHFFFAOYSA-N
XLogP6.13
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.88
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline
CID 59797507
3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
CID 57041875
2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
CID 57057623
6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile
CID 23224654
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline (CID 14650385) is 2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline is ClCc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline?
The InChIKey is OVWHFYRFUFIJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO2/c25-15-19-6-1-2-7-20(19)16-27-22-11-13-23(14-12-22)28-17-21-10-9-18-5-3-4-8-24(18)26-21/h1-14H,15-17H2.
What are the key properties of 2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline?
2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline has a molecular weight of 389.88 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 14650385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).