1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide

C15H24INO — CID 13300508

IUPAC1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide
SMILESCCCCCCN1CCCc2cc(O)ccc21.I
InChIInChI=1S/C15H23NO.HI/c1-2-3-4-5-10-16-11-6-7-13-12-14(17)8-9-15(13)16;/h8-9,12,17H,2-7,10-11H2,1H3;1H
InChIKeyHREAWJLNYZOULQ-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.34
Rot. Bonds5

About 1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide

1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide (PubChem CID 13300508) has the molecular formula C15H24INO and a molecular weight of 361.27 g/mol. Its IUPAC name is 1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide.

Molecular Properties

Compound Name1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide
PubChem CID13300508
Molecular FormulaC15H24INO
Molecular Weight361.27 g/mol
Exact Mass361.09
IUPAC Name1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide
SMILESCCCCCCN1CCCc2cc(O)ccc21.I
InChIInChI=1S/C15H23NO.HI/c1-2-3-4-5-10-16-11-6-7-13-12-14(17)8-9-15(13)16;/h8-9,12,17H,2-7,10-11H2,1H3;1H
InChIKeyHREAWJLNYZOULQ-UHFFFAOYSA-N
XLogP4.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,4-Trimethyl-1,2-dihydro-6-quinolinol
CID 599799
2-Hydroxydesipramine
CID 121249
2-Hydroxyimipramine
CID 108051
1,2,3,4-Tetrahydroquinolin-8-ol
CID 241490
4-(Dimethylamino)-3,5-dimethylphenol
CID 22499
1H,5H-Benzo(ij)quinolizin-9-ol, 2,3,6,7-tetrahydro-
CID 377645
Aminocarb phenol
CID 84222
2-Hydroxytrimipramine
CID 160610
4-(4-Benzylpiperazin-1-yl)phenol
CID 8690650
4-[Bis(2-chloroethyl)amino]-3-methylphenol
CID 10848125
1-Isopropyl-2-phenyl-1,2,3,4-tetrahydro-isoquinolin-6-ol
CID 18172444
1-Benzyl-2,2,4-trimethylquinolin-6-ol
CID 45484215

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide?
The IUPAC name of 1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide (CID 13300508) is 1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide.
What is the SMILES notation for 1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide?
The canonical SMILES for 1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide is CCCCCCN1CCCc2cc(O)ccc21.I.
What is the InChIKey of 1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide?
The InChIKey is HREAWJLNYZOULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.HI/c1-2-3-4-5-10-16-11-6-7-13-12-14(17)8-9-15(13)16;/h8-9,12,17H,2-7,10-11H2,1H3;1H.
What are the key properties of 1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide?
1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide has a molecular weight of 361.27 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide is sourced from PubChem (CID 13300508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).