N-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine

C18H26ClN3 — CID 10495907

IUPACN-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine
SMILESCCN(CC)CCCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H26ClN3/c1-3-22(4-2)13-7-5-6-11-20-17-10-12-21-18-14-15(19)8-9-16(17)18/h8-10,12,14H,3-7,11,13H2,1-2H3,(H,20,21)
InChIKeyKASRWENZOKSTKQ-UHFFFAOYSA-N
MW319.88 g/mol
LogP4.81
Rot. Bonds9

About N-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine

N-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine (PubChem CID 10495907) has the molecular formula C18H26ClN3 and a molecular weight of 319.88 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine
PubChem CID10495907
Molecular FormulaC18H26ClN3
Molecular Weight319.88 g/mol
Exact Mass319.18
IUPAC NameN-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine
SMILESCCN(CC)CCCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H26ClN3/c1-3-22(4-2)13-7-5-6-11-20-17-10-12-21-18-14-15(19)8-9-16(17)18/h8-10,12,14H,3-7,11,13H2,1-2H3,(H,20,21)
InChIKeyKASRWENZOKSTKQ-UHFFFAOYSA-N
XLogP4.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Chloroquine
CID 2719
Chloroquine Phosphate
CID 64927
Hydroxychloroquine
CID 3652
Hydroxychloroquine Sulfate
CID 12947
Piperaquine
CID 122262
(+-)-Desethylhydroxychloroquine
CID 71826
5-Aminoquinoline
CID 11911
4,7-Dichloroquinoline
CID 6866
(+-)-Desethylchloroquine
CID 95478
Aminoquinol
CID 5708341
(+-)-Chloroquine diphosphate
CID 83818
6-Chloroquinoline
CID 69163

Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine?
The IUPAC name of N-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine (CID 10495907) is N-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine is CCN(CC)CCCCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine?
The InChIKey is KASRWENZOKSTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3/c1-3-22(4-2)13-7-5-6-11-20-17-10-12-21-18-14-15(19)8-9-16(17)18/h8-10,12,14H,3-7,11,13H2,1-2H3,(H,20,21).
What are the key properties of N-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine?
N-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine has a molecular weight of 319.88 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine is sourced from PubChem (CID 10495907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).