2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline

C21H23NO2 — CID 21280545

IUPAC2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline
SMILESCOCCCCc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C21H23NO2/c1-23-15-5-4-6-17-9-13-20(14-10-17)24-16-19-12-11-18-7-2-3-8-21(18)22-19/h2-3,7-14H,4-6,15-16H2,1H3
InChIKeyIYCUZDDPCZHYDC-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.78
Rot. Bonds8

About 2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline

2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline (PubChem CID 21280545) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline
PubChem CID21280545
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline
SMILESCOCCCCc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C21H23NO2/c1-23-15-5-4-6-17-9-13-20(14-10-17)24-16-19-12-11-18-7-2-3-8-21(18)22-19/h2-3,7-14H,4-6,15-16H2,1H3
InChIKeyIYCUZDDPCZHYDC-UHFFFAOYSA-N
XLogP4.78
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
CID 57057623
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
1-(8-methoxyoctyl)-4-phenylmethoxybenzene
CID 15052396
N-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide
CID 66579769
[4-(quinolin-2-ylmethoxy)phenyl]methyl methanesulfonate
CID 152710097
2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline
CID 14750540
2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142
2-(2-methoxyethyl)quinoline
CID 129321824
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
methyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate
CID 67760741

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline (CID 21280545) is 2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline is COCCCCc1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline?
The InChIKey is IYCUZDDPCZHYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-23-15-5-4-6-17-9-13-20(14-10-17)24-16-19-12-11-18-7-2-3-8-21(18)22-19/h2-3,7-14H,4-6,15-16H2,1H3.
What are the key properties of 2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline?
2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline has a molecular weight of 321.42 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline is sourced from PubChem (CID 21280545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).