3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol

C15H21N3O — CID 83060238

IUPAC3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ccnc2c(N)cccc12
InChIInChI=1S/C15H21N3O/c1-3-15(19,4-2)10-18-13-8-9-17-14-11(13)6-5-7-12(14)16/h5-9,19H,3-4,10,16H2,1-2H3,(H,17,18)
InChIKeyMYEVKZKXMKXXBF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.78
Rot. Bonds5

About 3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol

3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol (PubChem CID 83060238) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol
PubChem CID83060238
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ccnc2c(N)cccc12
InChIInChI=1S/C15H21N3O/c1-3-15(19,4-2)10-18-13-8-9-17-14-11(13)6-5-7-12(14)16/h5-9,19H,3-4,10,16H2,1-2H3,(H,17,18)
InChIKeyMYEVKZKXMKXXBF-UHFFFAOYSA-N
XLogP2.78
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol (CID 83060238) is 3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1ccnc2c(N)cccc12.
What is the InChIKey of 3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol?
The InChIKey is MYEVKZKXMKXXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-15(19,4-2)10-18-13-8-9-17-14-11(13)6-5-7-12(14)16/h5-9,19H,3-4,10,16H2,1-2H3,(H,17,18).
What are the key properties of 3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol?
3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol has a molecular weight of 259.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 83060238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).