5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol

C15H21N3O — CID 107197791

IUPAC5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1ccc(N)c2cccnc12
InChIInChI=1S/C15H21N3O/c1-18(10-3-2-4-11-19)14-8-7-13(16)12-6-5-9-17-15(12)14/h5-9,19H,2-4,10-11,16H2,1H3
InChIKeyIMLJENLLHNILDT-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.42
Rot. Bonds6

About 5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol

5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol (PubChem CID 107197791) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol
PubChem CID107197791
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1ccc(N)c2cccnc12
InChIInChI=1S/C15H21N3O/c1-18(10-3-2-4-11-19)14-8-7-13(16)12-6-5-9-17-15(12)14/h5-9,19H,2-4,10-11,16H2,1H3
InChIKeyIMLJENLLHNILDT-UHFFFAOYSA-N
XLogP2.42
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine
CID 112656769
8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine
CID 81059066
8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine
CID 43564940
6-(5-aminoquinolin-8-yl)oxyhexan-1-ol
CID 107702002
8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine
CID 43450085
2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438533
8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine
CID 43450087
8-N-[(3-chlorophenyl)methyl]-8-N-methylquinoline-5,8-diamine
CID 61413478
5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol
CID 107203383
4-[methyl(pyridin-2-yl)amino]butan-1-ol
CID 115217548
3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol
CID 102859911
5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide
CID 104850383

Frequently Asked Questions

What is the IUPAC name of 5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol (CID 107197791) is 5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol is CN(CCCCCO)c1ccc(N)c2cccnc12.
What is the InChIKey of 5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol?
The InChIKey is IMLJENLLHNILDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18(10-3-2-4-11-19)14-8-7-13(16)12-6-5-9-17-15(12)14/h5-9,19H,2-4,10-11,16H2,1H3.
What are the key properties of 5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol?
5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107197791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).