4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol

C15H19N3O2 — CID 81134784

IUPAC4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol
SMILESNc1ccc(NCC2(O)CCOCC2)c2cccnc12
InChIInChI=1S/C15H19N3O2/c16-12-3-4-13(11-2-1-7-17-14(11)12)18-10-15(19)5-8-20-9-6-15/h1-4,7,18-19H,5-6,8-10,16H2
InChIKeyZXSSIDRVPSOOIO-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.77
Rot. Bonds3

About 4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol

4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol (PubChem CID 81134784) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol
PubChem CID81134784
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol
SMILESNc1ccc(NCC2(O)CCOCC2)c2cccnc12
InChIInChI=1S/C15H19N3O2/c16-12-3-4-13(11-2-1-7-17-14(11)12)18-10-15(19)5-8-20-9-6-15/h1-4,7,18-19H,5-6,8-10,16H2
InChIKeyZXSSIDRVPSOOIO-UHFFFAOYSA-N
XLogP1.77
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[(8-aminoquinolin-5-yl)amino]methyl]oxolan-3-ol
CID 106099436
[1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol
CID 115358035
5-N-morpholin-4-ylquinoline-5,8-diamine
CID 83004132
4-N-[(2-methyloxolan-2-yl)methyl]quinoline-4,8-diamine
CID 83061056
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol
CID 66170956
5-N-(cyclohexylmethyl)quinoline-5,8-diamine
CID 43449567
2-[(5-aminoquinolin-8-yl)amino]ethanol
CID 43450143
5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine
CID 60915115
4-[(2-amino-3-fluoroanilino)methyl]oxan-4-ol
CID 81134791
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine
CID 106393652
3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide
CID 106275119

Frequently Asked Questions

What is the IUPAC name of 4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol (CID 81134784) is 4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol is Nc1ccc(NCC2(O)CCOCC2)c2cccnc12.
What is the InChIKey of 4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol?
The InChIKey is ZXSSIDRVPSOOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-12-3-4-13(11-2-1-7-17-14(11)12)18-10-15(19)5-8-20-9-6-15/h1-4,7,18-19H,5-6,8-10,16H2.
What are the key properties of 4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol?
4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol has a molecular weight of 273.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 81134784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).