3-[[(8-aminoquinolin-4-yl)-methylamino]methyl]cyclobutan-1-ol

C15H19N3O — CID 83060904

IUPAC3-[[(8-aminoquinolin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCN(CC1CC(O)C1)c1ccnc2c(N)cccc12
InChIInChI=1S/C15H19N3O/c1-18(9-10-7-11(19)8-10)14-5-6-17-15-12(14)3-2-4-13(15)16/h2-6,10-11,19H,7-9,16H2,1H3
InChIKeyOVZZIIZQEFRKSK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.02
Rot. Bonds3

About 3-[[(8-aminoquinolin-4-yl)-methylamino]methyl]cyclobutan-1-ol

3-[[(8-aminoquinolin-4-yl)-methylamino]methyl]cyclobutan-1-ol (PubChem CID 83060904) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[[(8-aminoquinolin-4-yl)-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(8-aminoquinolin-4-yl)-methylamino]methyl]cyclobutan-1-ol
PubChem CID83060904
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[[(8-aminoquinolin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCN(CC1CC(O)C1)c1ccnc2c(N)cccc12
InChIInChI=1S/C15H19N3O/c1-18(9-10-7-11(19)8-10)14-5-6-17-15-12(14)3-2-4-13(15)16/h2-6,10-11,19H,7-9,16H2,1H3
InChIKeyOVZZIIZQEFRKSK-UHFFFAOYSA-N
XLogP2.02
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(8-aminoquinolin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(8-aminoquinolin-4-yl)-methylamino]methyl]cyclobutan-1-ol (CID 83060904) is 3-[[(8-aminoquinolin-4-yl)-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(8-aminoquinolin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(8-aminoquinolin-4-yl)-methylamino]methyl]cyclobutan-1-ol is CN(CC1CC(O)C1)c1ccnc2c(N)cccc12.
What is the InChIKey of 3-[[(8-aminoquinolin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is OVZZIIZQEFRKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(9-10-7-11(19)8-10)14-5-6-17-15-12(14)3-2-4-13(15)16/h2-6,10-11,19H,7-9,16H2,1H3.
What are the key properties of 3-[[(8-aminoquinolin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
3-[[(8-aminoquinolin-4-yl)-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 257.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(8-aminoquinolin-4-yl)-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 83060904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).