1-[(3-decoxyphenyl)methyl]-2H-quinoline

C26H35NO — CID 141407473

IUPAC1-[(3-decoxyphenyl)methyl]-2H-quinoline
SMILESCCCCCCCCCCOc1cccc(CN2CC=Cc3ccccc32)c1
InChIInChI=1S/C26H35NO/c1-2-3-4-5-6-7-8-11-20-28-25-17-12-14-23(21-25)22-27-19-13-16-24-15-9-10-18-26(24)27/h9-10,12-18,21H,2-8,11,19-20,22H2,1H3
InChIKeyCVWSUYFOALASHT-UHFFFAOYSA-N
MW377.57 g/mol
LogP7.24
Rot. Bonds12

About 1-[(3-decoxyphenyl)methyl]-2H-quinoline

1-[(3-decoxyphenyl)methyl]-2H-quinoline (PubChem CID 141407473) has the molecular formula C26H35NO and a molecular weight of 377.57 g/mol. Its IUPAC name is 1-[(3-decoxyphenyl)methyl]-2H-quinoline.

Molecular Properties

Compound Name1-[(3-decoxyphenyl)methyl]-2H-quinoline
PubChem CID141407473
Molecular FormulaC26H35NO
Molecular Weight377.57 g/mol
Exact Mass377.27
IUPAC Name1-[(3-decoxyphenyl)methyl]-2H-quinoline
SMILESCCCCCCCCCCOc1cccc(CN2CC=Cc3ccccc32)c1
InChIInChI=1S/C26H35NO/c1-2-3-4-5-6-7-8-11-20-28-25-17-12-14-23(21-25)22-27-19-13-16-24-15-9-10-18-26(24)27/h9-10,12-18,21H,2-8,11,19-20,22H2,1H3
InChIKeyCVWSUYFOALASHT-UHFFFAOYSA-N
XLogP7.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-octadecoxyphenyl)-2H-quinoline
CID 141383643
2-(3-octoxyphenyl)ethanol
CID 141227544
1,3-dihexadecoxybenzene
CID 12686834
1-butyl-2H-quinoline;hexafluoroantimony(1-)
CID 175158891
sodium 3-octoxyphenolate
CID 159078373
1-(7-cyclopentylheptoxy)-3-nonylbenzene
CID 173313656
3-[4-[(3-pentoxyphenyl)methyl]piperazin-1-yl]propanenitrile
CID 54856254
3-dodecoxyphenol
CID 15719132
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
2-(3-octoxyphenyl)acetic acid
CID 11975056
[3-(3-hexoxypropoxy)phenyl]methanamine
CID 43254403
4-(3-pentadecylphenoxy)butanamide
CID 22354511

Frequently Asked Questions

What is the IUPAC name of 1-[(3-decoxyphenyl)methyl]-2H-quinoline?
The IUPAC name of 1-[(3-decoxyphenyl)methyl]-2H-quinoline (CID 141407473) is 1-[(3-decoxyphenyl)methyl]-2H-quinoline.
What is the SMILES notation for 1-[(3-decoxyphenyl)methyl]-2H-quinoline?
The canonical SMILES for 1-[(3-decoxyphenyl)methyl]-2H-quinoline is CCCCCCCCCCOc1cccc(CN2CC=Cc3ccccc32)c1.
What is the InChIKey of 1-[(3-decoxyphenyl)methyl]-2H-quinoline?
The InChIKey is CVWSUYFOALASHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO/c1-2-3-4-5-6-7-8-11-20-28-25-17-12-14-23(21-25)22-27-19-13-16-24-15-9-10-18-26(24)27/h9-10,12-18,21H,2-8,11,19-20,22H2,1H3.
What are the key properties of 1-[(3-decoxyphenyl)methyl]-2H-quinoline?
1-[(3-decoxyphenyl)methyl]-2H-quinoline has a molecular weight of 377.57 g/mol, XLogP of 7.24, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-decoxyphenyl)methyl]-2H-quinoline is sourced from PubChem (CID 141407473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).