4-[(8-aminoquinolin-4-yl)amino]butan-1-ol

C13H17N3O — CID 106840285

IUPAC4-[(8-aminoquinolin-4-yl)amino]butan-1-ol
SMILESNc1cccc2c(NCCCCO)ccnc12
InChIInChI=1S/C13H17N3O/c14-11-5-3-4-10-12(6-8-16-13(10)11)15-7-1-2-9-17/h3-6,8,17H,1-2,7,9,14H2,(H,15,16)
InChIKeyVMVAEFXDHFUOBY-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.00
Rot. Bonds5

About 4-[(8-aminoquinolin-4-yl)amino]butan-1-ol

4-[(8-aminoquinolin-4-yl)amino]butan-1-ol (PubChem CID 106840285) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[(8-aminoquinolin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(8-aminoquinolin-4-yl)amino]butan-1-ol
PubChem CID106840285
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[(8-aminoquinolin-4-yl)amino]butan-1-ol
SMILESNc1cccc2c(NCCCCO)ccnc12
InChIInChI=1S/C13H17N3O/c14-11-5-3-4-10-12(6-8-16-13(10)11)15-7-1-2-9-17/h3-6,8,17H,1-2,7,9,14H2,(H,15,16)
InChIKeyVMVAEFXDHFUOBY-UHFFFAOYSA-N
XLogP2.00
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.00
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-[(8-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
CID 83061124
4-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 106842695
2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide
CID 83061174
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine
CID 83060905
4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine
CID 83057902
3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol
CID 83060238
5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol
CID 106141173
4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine
CID 83058211
4-[(5-aminoquinolin-6-yl)amino]butan-1-ol
CID 106840255
4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine
CID 83060979
4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine
CID 83143113
6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol
CID 107844066

Frequently Asked Questions

What is the IUPAC name of 4-[(8-aminoquinolin-4-yl)amino]butan-1-ol?
The IUPAC name of 4-[(8-aminoquinolin-4-yl)amino]butan-1-ol (CID 106840285) is 4-[(8-aminoquinolin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(8-aminoquinolin-4-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(8-aminoquinolin-4-yl)amino]butan-1-ol is Nc1cccc2c(NCCCCO)ccnc12.
What is the InChIKey of 4-[(8-aminoquinolin-4-yl)amino]butan-1-ol?
The InChIKey is VMVAEFXDHFUOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-11-5-3-4-10-12(6-8-16-13(10)11)15-7-1-2-9-17/h3-6,8,17H,1-2,7,9,14H2,(H,15,16).
What are the key properties of 4-[(8-aminoquinolin-4-yl)amino]butan-1-ol?
4-[(8-aminoquinolin-4-yl)amino]butan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-aminoquinolin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 106840285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).