7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline

C15H23NO3 — CID 107314042

IUPAC7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
SMILESCOCCCOCCOc1ccc2c(c1)NCCC2
InChIInChI=1S/C15H23NO3/c1-17-8-3-9-18-10-11-19-14-6-5-13-4-2-7-16-15(13)12-14/h5-6,12,16H,2-4,7-11H2,1H3
InChIKeyVRXXJPLYLYTAEG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.48
Rot. Bonds8

About 7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline

7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 107314042) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID107314042
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
SMILESCOCCCOCCOc1ccc2c(c1)NCCC2
InChIInChI=1S/C15H23NO3/c1-17-8-3-9-18-10-11-19-14-6-5-13-4-2-7-16-15(13)12-14/h5-6,12,16H,2-4,7-11H2,1H3
InChIKeyVRXXJPLYLYTAEG-UHFFFAOYSA-N
XLogP2.48
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-butoxy-1,2,3,4-tetrahydroquinoline
CID 107313953
7-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
CID 107313941
7-pentoxy-1,2,3,4-tetrahydroquinoline
CID 107313970
4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol
CID 107313916
7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline
CID 107313986
5-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
CID 103180421
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
N-cyclopropyl-N-ethyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)acetamide
CID 107314031
7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075481
7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075463
2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
CID 107171281
1-bromo-2-(bromomethyl)-4-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103180775

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline (CID 107314042) is 7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline is COCCCOCCOc1ccc2c(c1)NCCC2.
What is the InChIKey of 7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is VRXXJPLYLYTAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-8-3-9-18-10-11-19-14-6-5-13-4-2-7-16-15(13)12-14/h5-6,12,16H,2-4,7-11H2,1H3.
What are the key properties of 7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline?
7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 265.35 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 107314042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).