4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol

C13H19NO2 — CID 107313916

IUPAC4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol
SMILESOCCCCOc1ccc2c(c1)NCCC2
InChIInChI=1S/C13H19NO2/c15-8-1-2-9-16-12-6-5-11-4-3-7-14-13(11)10-12/h5-6,10,14-15H,1-4,7-9H2
InChIKeyPDVDJNLEUHJQSK-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.20
Rot. Bonds5

About 4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol

4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol (PubChem CID 107313916) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol
PubChem CID107313916
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol
SMILESOCCCCOc1ccc2c(c1)NCCC2
InChIInChI=1S/C13H19NO2/c15-8-1-2-9-16-12-6-5-11-4-3-7-14-13(11)10-12/h5-6,10,14-15H,1-4,7-9H2
InChIKeyPDVDJNLEUHJQSK-UHFFFAOYSA-N
XLogP2.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-pentoxy-1,2,3,4-tetrahydroquinoline
CID 107313970
7-butoxy-1,2,3,4-tetrahydroquinoline
CID 107313953
7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline
CID 107313986
7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
CID 107314042
7-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
CID 107313941
N-(3-methylbutan-2-yl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)acetamide
CID 107313957
7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075463
azane;8-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyloxy)octan-1-ol
CID 175067623
7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 115075504
4-(1,2,3,4-tetrahydroquinolin-7-yloxymethyl)thiane 1,1-dioxide
CID 115075515
N-(2-methylbutan-2-yl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)acetamide
CID 107313939
N-cyclopropyl-N-ethyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)acetamide
CID 107314031

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol?
The IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol (CID 107313916) is 4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol?
The canonical SMILES for 4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol is OCCCCOc1ccc2c(c1)NCCC2.
What is the InChIKey of 4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol?
The InChIKey is PDVDJNLEUHJQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-8-1-2-9-16-12-6-5-11-4-3-7-14-13(11)10-12/h5-6,10,14-15H,1-4,7-9H2.
What are the key properties of 4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol?
4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol is sourced from PubChem (CID 107313916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).