7-propyl-1,2,3,4-tetrahydroquinolin-8-ol

C12H17NO — CID 119085826

IUPAC7-propyl-1,2,3,4-tetrahydroquinolin-8-ol
SMILESCCCc1ccc2c(c1O)NCCC2
InChIInChI=1S/C12H17NO/c1-2-4-10-7-6-9-5-3-8-13-11(9)12(10)14/h6-7,13-14H,2-5,8H2,1H3
InChIKeyVWLMUGAOCHLQAV-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.70
Rot. Bonds2

About 7-propyl-1,2,3,4-tetrahydroquinolin-8-ol

7-propyl-1,2,3,4-tetrahydroquinolin-8-ol (PubChem CID 119085826) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 7-propyl-1,2,3,4-tetrahydroquinolin-8-ol.

Molecular Properties

Compound Name7-propyl-1,2,3,4-tetrahydroquinolin-8-ol
PubChem CID119085826
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name7-propyl-1,2,3,4-tetrahydroquinolin-8-ol
SMILESCCCc1ccc2c(c1O)NCCC2
InChIInChI=1S/C12H17NO/c1-2-4-10-7-6-9-5-3-8-13-11(9)12(10)14/h6-7,13-14H,2-5,8H2,1H3
InChIKeyVWLMUGAOCHLQAV-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-propyl-1,2,3,4-tetrahydroquinolin-8-ol?
The IUPAC name of 7-propyl-1,2,3,4-tetrahydroquinolin-8-ol (CID 119085826) is 7-propyl-1,2,3,4-tetrahydroquinolin-8-ol.
What is the SMILES notation for 7-propyl-1,2,3,4-tetrahydroquinolin-8-ol?
The canonical SMILES for 7-propyl-1,2,3,4-tetrahydroquinolin-8-ol is CCCc1ccc2c(c1O)NCCC2.
What is the InChIKey of 7-propyl-1,2,3,4-tetrahydroquinolin-8-ol?
The InChIKey is VWLMUGAOCHLQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-4-10-7-6-9-5-3-8-13-11(9)12(10)14/h6-7,13-14H,2-5,8H2,1H3.
What are the key properties of 7-propyl-1,2,3,4-tetrahydroquinolin-8-ol?
7-propyl-1,2,3,4-tetrahydroquinolin-8-ol has a molecular weight of 191.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-1,2,3,4-tetrahydroquinolin-8-ol is sourced from PubChem (CID 119085826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).