N-(2-chloroquinolin-5-yl)-N',N'-diethylpropane-1,3-diamine

C16H22ClN3 — CID 4667810

IUPACN-(2-chloroquinolin-5-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1cccc2nc(Cl)ccc12
InChIInChI=1S/C16H22ClN3/c1-3-20(4-2)12-6-11-18-14-7-5-8-15-13(14)9-10-16(17)19-15/h5,7-10,18H,3-4,6,11-12H2,1-2H3
InChIKeyUELOYEJQZHOYFU-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.03
Rot. Bonds7

About N-(2-chloroquinolin-5-yl)-N',N'-diethylpropane-1,3-diamine

N-(2-chloroquinolin-5-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 4667810) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is N-(2-chloroquinolin-5-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-chloroquinolin-5-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID4667810
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC NameN-(2-chloroquinolin-5-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1cccc2nc(Cl)ccc12
InChIInChI=1S/C16H22ClN3/c1-3-20(4-2)12-6-11-18-14-7-5-8-15-13(14)9-10-16(17)19-15/h5,7-10,18H,3-4,6,11-12H2,1-2H3
InChIKeyUELOYEJQZHOYFU-UHFFFAOYSA-N
XLogP4.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Chloroquine
CID 2719
Hydroxychloroquine
CID 3652
3,6-Diamino-10-methylacridinium Chloride
CID 6842
(+-)-Desethylchloroquine
CID 95478
(+-)-Chloroquine diphosphate
CID 83818
Acridine, 1,2,3,4-tetrahydro-9-amino-7-chloro-
CID 22493
Aminoquinol
CID 5708341
4-Amino-2-methylquinoline
CID 81116
4-Amino-7-chloroquinoline
CID 94711
Bisdesethylchloroquine
CID 122672
Chloroquine Sulfate
CID 91441
Sontoquine
CID 66553

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroquinolin-5-yl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(2-chloroquinolin-5-yl)-N',N'-diethylpropane-1,3-diamine (CID 4667810) is N-(2-chloroquinolin-5-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-chloroquinolin-5-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(2-chloroquinolin-5-yl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNc1cccc2nc(Cl)ccc12.
What is the InChIKey of N-(2-chloroquinolin-5-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is UELOYEJQZHOYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-3-20(4-2)12-6-11-18-14-7-5-8-15-13(14)9-10-16(17)19-15/h5,7-10,18H,3-4,6,11-12H2,1-2H3.
What are the key properties of N-(2-chloroquinolin-5-yl)-N',N'-diethylpropane-1,3-diamine?
N-(2-chloroquinolin-5-yl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 291.83 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroquinolin-5-yl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 4667810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).