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

C14H21NO — CID 107313970

IUPAC7-pentoxy-1,2,3,4-tetrahydroquinoline
SMILESCCCCCOc1ccc2c(c1)NCCC2
InChIInChI=1S/C14H21NO/c1-2-3-4-10-16-13-8-7-12-6-5-9-15-14(12)11-13/h7-8,11,15H,2-6,9-10H2,1H3
InChIKeyRXGJPHLXNRTGFO-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.61
Rot. Bonds5

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

7-pentoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 107313970) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 7-pentoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-pentoxy-1,2,3,4-tetrahydroquinoline
PubChem CID107313970
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name7-pentoxy-1,2,3,4-tetrahydroquinoline
SMILESCCCCCOc1ccc2c(c1)NCCC2
InChIInChI=1S/C14H21NO/c1-2-3-4-10-16-13-8-7-12-6-5-9-15-14(12)11-13/h7-8,11,15H,2-6,9-10H2,1H3
InChIKeyRXGJPHLXNRTGFO-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-pentoxy-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-butoxy-1,2,3,4-tetrahydroquinoline
CID 107313953
4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol
CID 107313916
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
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-cyclopropyl-N-ethyl-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)acetamide
CID 107314031
N-(2-methylbutan-2-yl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)acetamide
CID 107313939
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-pentoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-pentoxy-1,2,3,4-tetrahydroquinoline (CID 107313970) is 7-pentoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-pentoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-pentoxy-1,2,3,4-tetrahydroquinoline is CCCCCOc1ccc2c(c1)NCCC2.
What is the InChIKey of 7-pentoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is RXGJPHLXNRTGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-3-4-10-16-13-8-7-12-6-5-9-15-14(12)11-13/h7-8,11,15H,2-6,9-10H2,1H3.
What are the key properties of 7-pentoxy-1,2,3,4-tetrahydroquinoline?
7-pentoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 219.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 107313970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).