3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol

C13H17N3O2 — CID 66170956

IUPAC3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNc1ccc(N)c2ncccc12
InChIInChI=1S/C13H17N3O2/c1-13(18,8-17)7-16-11-5-4-10(14)12-9(11)3-2-6-15-12/h2-6,16-18H,7-8,14H2,1H3
InChIKeyHKCZRVDBKKBMIU-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.97
Rot. Bonds4

About 3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol

3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol (PubChem CID 66170956) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol
PubChem CID66170956
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNc1ccc(N)c2ncccc12
InChIInChI=1S/C13H17N3O2/c1-13(18,8-17)7-16-11-5-4-10(14)12-9(11)3-2-6-15-12/h2-6,16-18H,7-8,14H2,1H3
InChIKeyHKCZRVDBKKBMIU-UHFFFAOYSA-N
XLogP0.97
TPSA91.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol
CID 106141173
3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide
CID 106275119
5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine
CID 114940553
1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 65103110
3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106275334
1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol
CID 106290123
3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol
CID 83060238
2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845509
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol
CID 107151067
N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide
CID 103017990
5-N-(5-methylhexyl)quinoline-5,8-diamine
CID 115324702

Frequently Asked Questions

What is the IUPAC name of 3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol (CID 66170956) is 3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol is CC(O)(CO)CNc1ccc(N)c2ncccc12.
What is the InChIKey of 3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol?
The InChIKey is HKCZRVDBKKBMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(18,8-17)7-16-11-5-4-10(14)12-9(11)3-2-6-15-12/h2-6,16-18H,7-8,14H2,1H3.
What are the key properties of 3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol?
3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol has a molecular weight of 247.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66170956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).