N'-[3-(7-chloroquinolin-4-yl)oxypropyl]-N,N,N'-triethylpropane-1,3-diamine

C21H32ClN3O — CID 44552471

IUPACN'-[3-(7-chloroquinolin-4-yl)oxypropyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CCCOc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H32ClN3O/c1-4-24(5-2)13-7-14-25(6-3)15-8-16-26-21-11-12-23-20-17-18(22)9-10-19(20)21/h9-12,17H,4-8,13-16H2,1-3H3
InChIKeyCZLRVTLYGSFQFD-UHFFFAOYSA-N
MW377.96 g/mol
LogP4.71
Rot. Bonds12

About N'-[3-(7-chloroquinolin-4-yl)oxypropyl]-N,N,N'-triethylpropane-1,3-diamine

N'-[3-(7-chloroquinolin-4-yl)oxypropyl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 44552471) has the molecular formula C21H32ClN3O and a molecular weight of 377.96 g/mol. Its IUPAC name is N'-[3-(7-chloroquinolin-4-yl)oxypropyl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(7-chloroquinolin-4-yl)oxypropyl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID44552471
Molecular FormulaC21H32ClN3O
Molecular Weight377.96 g/mol
Exact Mass377.22
IUPAC NameN'-[3-(7-chloroquinolin-4-yl)oxypropyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CCCOc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H32ClN3O/c1-4-24(5-2)13-7-14-25(6-3)15-8-16-26-21-11-12-23-20-17-18(22)9-10-19(20)21/h9-12,17H,4-8,13-16H2,1-3H3
InChIKeyCZLRVTLYGSFQFD-UHFFFAOYSA-N
XLogP4.71
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.96
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(7-chloroquinolin-4-yl)oxypropyl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[3-(7-chloroquinolin-4-yl)oxypropyl]-N,N,N'-triethylpropane-1,3-diamine (CID 44552471) is N'-[3-(7-chloroquinolin-4-yl)oxypropyl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(7-chloroquinolin-4-yl)oxypropyl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(7-chloroquinolin-4-yl)oxypropyl]-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)CCCOc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N'-[3-(7-chloroquinolin-4-yl)oxypropyl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is CZLRVTLYGSFQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClN3O/c1-4-24(5-2)13-7-14-25(6-3)15-8-16-26-21-11-12-23-20-17-18(22)9-10-19(20)21/h9-12,17H,4-8,13-16H2,1-3H3.
What are the key properties of N'-[3-(7-chloroquinolin-4-yl)oxypropyl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[3-(7-chloroquinolin-4-yl)oxypropyl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 377.96 g/mol, XLogP of 4.71, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(7-chloroquinolin-4-yl)oxypropyl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 44552471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).