7-butoxy-1,2,3,4-tetrahydroquinoline

C13H19NO — CID 107313953

IUPAC7-butoxy-1,2,3,4-tetrahydroquinoline
SMILESCCCCOc1ccc2c(c1)NCCC2
InChIInChI=1S/C13H19NO/c1-2-3-9-15-12-7-6-11-5-4-8-14-13(11)10-12/h6-7,10,14H,2-5,8-9H2,1H3
InChIKeyDDPMJVQECUEKCJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.22
Rot. Bonds4

About 7-butoxy-1,2,3,4-tetrahydroquinoline

7-butoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 107313953) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 7-butoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-butoxy-1,2,3,4-tetrahydroquinoline
PubChem CID107313953
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name7-butoxy-1,2,3,4-tetrahydroquinoline
SMILESCCCCOc1ccc2c(c1)NCCC2
InChIInChI=1S/C13H19NO/c1-2-3-9-15-12-7-6-11-5-4-8-14-13(11)10-12/h6-7,10,14H,2-5,8-9H2,1H3
InChIKeyDDPMJVQECUEKCJ-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol
CID 107313916
7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
CID 107314042
7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline
CID 107313986
7-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
CID 107313941
7-octyl-1,2,3,4-tetrahydroquinoline
CID 106778470
7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075463
N-(3-methylbutan-2-yl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)acetamide
CID 107313957
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
7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075481
7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075397

Frequently Asked Questions

What is the IUPAC name of 7-butoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-butoxy-1,2,3,4-tetrahydroquinoline (CID 107313953) is 7-butoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-butoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-butoxy-1,2,3,4-tetrahydroquinoline is CCCCOc1ccc2c(c1)NCCC2.
What is the InChIKey of 7-butoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is DDPMJVQECUEKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-3-9-15-12-7-6-11-5-4-8-14-13(11)10-12/h6-7,10,14H,2-5,8-9H2,1H3.
What are the key properties of 7-butoxy-1,2,3,4-tetrahydroquinoline?
7-butoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 205.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 107313953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).