1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol

C15H21N3O — CID 107151067

IUPAC1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1ccc(N)c2ncccc12
InChIInChI=1S/C15H21N3O/c1-10(2)8-11(19)9-18-14-6-5-13(16)15-12(14)4-3-7-17-15/h3-7,10-11,18-19H,8-9,16H2,1-2H3
InChIKeyGSAXGBSCBGTNIF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.64
Rot. Bonds5

About 1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol

1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol (PubChem CID 107151067) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol
PubChem CID107151067
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1ccc(N)c2ncccc12
InChIInChI=1S/C15H21N3O/c1-10(2)8-11(19)9-18-14-6-5-13(16)15-12(14)4-3-7-17-15/h3-7,10-11,18-19H,8-9,16H2,1-2H3
InChIKeyGSAXGBSCBGTNIF-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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

5-N-(2-cyclopropylpropyl)quinoline-5,8-diamine
CID 113474938
5-N-(5-methylhexyl)quinoline-5,8-diamine
CID 115324702
3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol
CID 66170956
5-N-[1-(dimethylamino)propan-2-yl]quinoline-5,8-diamine
CID 82945198
8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine
CID 43382933
3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide
CID 106275119
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine
CID 83143113
4-[(8-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
CID 83061124
5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine
CID 114940553
5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol
CID 106141173
3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106275334

Frequently Asked Questions

What is the IUPAC name of 1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol (CID 107151067) is 1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol is CC(C)CC(O)CNc1ccc(N)c2ncccc12.
What is the InChIKey of 1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol?
The InChIKey is GSAXGBSCBGTNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(2)8-11(19)9-18-14-6-5-13(16)15-12(14)4-3-7-17-15/h3-7,10-11,18-19H,8-9,16H2,1-2H3.
What are the key properties of 1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol?
1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol has a molecular weight of 259.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107151067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).