6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol

C15H21N3O — CID 107844066

IUPAC6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol
SMILESNc1c(NCCCCCCO)ccc2ncccc12
InChIInChI=1S/C15H21N3O/c16-15-12-6-5-10-17-13(12)7-8-14(15)18-9-3-1-2-4-11-19/h5-8,10,18-19H,1-4,9,11,16H2
InChIKeyAUJQXJDRRVATRI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.78
Rot. Bonds7

About 6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol

6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol (PubChem CID 107844066) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol
PubChem CID107844066
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol
SMILESNc1c(NCCCCCCO)ccc2ncccc12
InChIInChI=1S/C15H21N3O/c16-15-12-6-5-10-17-13(12)7-8-14(15)18-9-3-1-2-4-11-19/h5-8,10,18-19H,1-4,9,11,16H2
InChIKeyAUJQXJDRRVATRI-UHFFFAOYSA-N
XLogP2.78
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-aminoquinolin-6-yl)amino]butan-1-ol
CID 106840255
2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol
CID 62499591
6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol
CID 103918121
6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine
CID 89050951
6-N-ethylquinoline-5,6-diamine
CID 43809532
2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate
CID 83202979
3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol
CID 65034635
6-N-(2-cyclohexylethyl)quinoline-5,6-diamine
CID 60919863
6-N-prop-2-enylquinoline-5,6-diamine
CID 62500024
4-[(8-aminoquinolin-4-yl)amino]butan-1-ol
CID 106840285
3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol
CID 65102906
6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 63305883

Frequently Asked Questions

What is the IUPAC name of 6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol (CID 107844066) is 6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol is Nc1c(NCCCCCCO)ccc2ncccc12.
What is the InChIKey of 6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol?
The InChIKey is AUJQXJDRRVATRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-15-12-6-5-10-17-13(12)7-8-14(15)18-9-3-1-2-4-11-19/h5-8,10,18-19H,1-4,9,11,16H2.
What are the key properties of 6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol?
6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol is sourced from PubChem (CID 107844066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).