2-[6-(9-aminononylamino)hexyl]quinolin-8-ol

C24H39N3O — CID 158463951

IUPAC2-[6-(9-aminononylamino)hexyl]quinolin-8-ol
SMILESNCCCCCCCCCNCCCCCCc1ccc2cccc(O)c2n1
InChIInChI=1S/C24H39N3O/c25-18-9-5-2-1-3-6-10-19-26-20-11-7-4-8-14-22-17-16-21-13-12-15-23(28)24(21)27-22/h12-13,15-17,26,28H,1-11,14,18-20,25H2
InChIKeyYZUZKMFVNXAFEI-UHFFFAOYSA-N
MW385.60 g/mol
LogP5.32
Rot. Bonds16

About 2-[6-(9-aminononylamino)hexyl]quinolin-8-ol

2-[6-(9-aminononylamino)hexyl]quinolin-8-ol (PubChem CID 158463951) has the molecular formula C24H39N3O and a molecular weight of 385.60 g/mol. Its IUPAC name is 2-[6-(9-aminononylamino)hexyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[6-(9-aminononylamino)hexyl]quinolin-8-ol
PubChem CID158463951
Molecular FormulaC24H39N3O
Molecular Weight385.60 g/mol
Exact Mass385.31
IUPAC Name2-[6-(9-aminononylamino)hexyl]quinolin-8-ol
SMILESNCCCCCCCCCNCCCCCCc1ccc2cccc(O)c2n1
InChIInChI=1S/C24H39N3O/c25-18-9-5-2-1-3-6-10-19-26-20-11-7-4-8-14-22-17-16-21-13-12-15-23(28)24(21)27-22/h12-13,15-17,26,28H,1-11,14,18-20,25H2
InChIKeyYZUZKMFVNXAFEI-UHFFFAOYSA-N
XLogP5.32
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.60
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(9-aminononylamino)hexyl]quinolin-8-ol?
The IUPAC name of 2-[6-(9-aminononylamino)hexyl]quinolin-8-ol (CID 158463951) is 2-[6-(9-aminononylamino)hexyl]quinolin-8-ol.
What is the SMILES notation for 2-[6-(9-aminononylamino)hexyl]quinolin-8-ol?
The canonical SMILES for 2-[6-(9-aminononylamino)hexyl]quinolin-8-ol is NCCCCCCCCCNCCCCCCc1ccc2cccc(O)c2n1.
What is the InChIKey of 2-[6-(9-aminononylamino)hexyl]quinolin-8-ol?
The InChIKey is YZUZKMFVNXAFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O/c25-18-9-5-2-1-3-6-10-19-26-20-11-7-4-8-14-22-17-16-21-13-12-15-23(28)24(21)27-22/h12-13,15-17,26,28H,1-11,14,18-20,25H2.
What are the key properties of 2-[6-(9-aminononylamino)hexyl]quinolin-8-ol?
2-[6-(9-aminononylamino)hexyl]quinolin-8-ol has a molecular weight of 385.60 g/mol, XLogP of 5.32, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(9-aminononylamino)hexyl]quinolin-8-ol is sourced from PubChem (CID 158463951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).