4-[(8-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol

C14H19N3O — CID 83061124

IUPAC4-[(8-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNc1ccnc2c(N)cccc12
InChIInChI=1S/C14H19N3O/c1-10(6-8-18)9-17-13-5-7-16-14-11(13)3-2-4-12(14)15/h2-5,7,10,18H,6,8-9,15H2,1H3,(H,16,17)
InChIKeyDEVHYWMPNARESL-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.25
Rot. Bonds5

About 4-[(8-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol

4-[(8-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol (PubChem CID 83061124) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[(8-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(8-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
PubChem CID83061124
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[(8-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNc1ccnc2c(N)cccc12
InChIInChI=1S/C14H19N3O/c1-10(6-8-18)9-17-13-5-7-16-14-11(13)3-2-4-12(14)15/h2-5,7,10,18H,6,8-9,15H2,1H3,(H,16,17)
InChIKeyDEVHYWMPNARESL-UHFFFAOYSA-N
XLogP2.25
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine
CID 83143113
4-[(8-aminoquinolin-4-yl)amino]butan-1-ol
CID 106840285
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine
CID 83066031
3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol
CID 83060238
4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine
CID 83058211
4-[(8-aminoisoquinolin-5-yl)amino]-3-methylbutan-1-ol
CID 66089874
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
2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol
CID 20650144
4-N-heptan-2-ylquinoline-4,8-diamine
CID 83060293
1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol
CID 107151067
1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol
CID 106290123

Frequently Asked Questions

What is the IUPAC name of 4-[(8-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(8-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol (CID 83061124) is 4-[(8-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(8-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(8-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol is CC(CCO)CNc1ccnc2c(N)cccc12.
What is the InChIKey of 4-[(8-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol?
The InChIKey is DEVHYWMPNARESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(6-8-18)9-17-13-5-7-16-14-11(13)3-2-4-12(14)15/h2-5,7,10,18H,6,8-9,15H2,1H3,(H,16,17).
What are the key properties of 4-[(8-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol?
4-[(8-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 2.25, 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]-3-methylbutan-1-ol is sourced from PubChem (CID 83061124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).