2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol

C18H28N4O — CID 20650144

IUPAC2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol
SMILESCCN(CCO)CCCC(C)Nc1ccnc2c(N)cccc12
InChIInChI=1S/C18H28N4O/c1-3-22(12-13-23)11-5-6-14(2)21-17-9-10-20-18-15(17)7-4-8-16(18)19/h4,7-10,14,23H,3,5-6,11-13,19H2,1-2H3,(H,20,21)
InChIKeyXGNOMAHRWRUKEP-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.71
Rot. Bonds9

About 2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol

2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol (PubChem CID 20650144) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol
PubChem CID20650144
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol
SMILESCCN(CCO)CCCC(C)Nc1ccnc2c(N)cccc12
InChIInChI=1S/C18H28N4O/c1-3-22(12-13-23)11-5-6-14(2)21-17-9-10-20-18-15(17)7-4-8-16(18)19/h4,7-10,14,23H,3,5-6,11-13,19H2,1-2H3,(H,20,21)
InChIKeyXGNOMAHRWRUKEP-UHFFFAOYSA-N
XLogP2.71
TPSA74.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.71
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

4-N-heptan-2-ylquinoline-4,8-diamine
CID 83060293
4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine
CID 83057902
2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol;phosphoric acid
CID 71586887
4-N-[(2S)-5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine
CID 129362155
4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine
CID 83066033
2-[4-[(6-chloronaphthalen-1-yl)amino]pentyl-ethylamino]ethanol
CID 59964249
(4R)-4-N-(6,8-dichloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 92856046
(4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 129412307
4-[(8-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
CID 83061124
2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol
CID 133480173
2-[4-[(5-chloroquinolin-4-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol;hydrochloride
CID 154725886
4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol
CID 83060786

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol?
The IUPAC name of 2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol (CID 20650144) is 2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol.
What is the SMILES notation for 2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol?
The canonical SMILES for 2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol is CCN(CCO)CCCC(C)Nc1ccnc2c(N)cccc12.
What is the InChIKey of 2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol?
The InChIKey is XGNOMAHRWRUKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-3-22(12-13-23)11-5-6-14(2)21-17-9-10-20-18-15(17)7-4-8-16(18)19/h4,7-10,14,23H,3,5-6,11-13,19H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol?
2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol has a molecular weight of 316.45 g/mol, XLogP of 2.71, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol is sourced from PubChem (CID 20650144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).