N'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine

C20H30ClN3O — CID 46225697

IUPACN'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CCOc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C20H30ClN3O/c1-4-23(5-2)12-7-13-24(6-3)14-15-25-20-10-11-22-19-16-17(21)8-9-18(19)20/h8-11,16H,4-7,12-15H2,1-3H3
InChIKeyAXSWEXUDHSLDFJ-UHFFFAOYSA-N
MW363.93 g/mol
LogP4.32
Rot. Bonds11

About N'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine

N'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 46225697) has the molecular formula C20H30ClN3O and a molecular weight of 363.93 g/mol. Its IUPAC name is N'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID46225697
Molecular FormulaC20H30ClN3O
Molecular Weight363.93 g/mol
Exact Mass363.21
IUPAC NameN'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CCOc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C20H30ClN3O/c1-4-23(5-2)12-7-13-24(6-3)14-15-25-20-10-11-22-19-16-17(21)8-9-18(19)20/h8-11,16H,4-7,12-15H2,1-3H3
InChIKeyAXSWEXUDHSLDFJ-UHFFFAOYSA-N
XLogP4.32
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine with MolForge

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Related Compounds

4-[2-(diethylamino)ethoxy]quinolin-7-amine
CID 103002290
N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine
CID 66921220
3-(7-chloroquinolin-4-yl)oxy-N-propan-2-ylpropan-1-amine
CID 62347734
2-(7-chloro-4-methylquinolin-2-yl)oxy-N,N-diethylethanamine
CID 154130691
N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine;phosphoric acid
CID 54601191
2-(diethylamino)ethyl 4-[(7-chloroquinolin-4-yl)amino]benzoate
CID 54005492
4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-[2-(prop-1-en-2-ylamino)oxyethyl]pentane-1,4-diamine
CID 146188349
4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine
CID 178050529
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118
N-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide
CID 20753586
1-(7-chloroquinolin-4-yl)-1-N,1-N,7-N,7-N-tetraethylheptane-1,4,7-triamine
CID 69019434
1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine
CID 153353135

Frequently Asked Questions

What is the IUPAC name of N'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine (CID 46225697) is N'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)CCOc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is AXSWEXUDHSLDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O/c1-4-23(5-2)12-7-13-24(6-3)14-15-25-20-10-11-22-19-16-17(21)8-9-18(19)20/h8-11,16H,4-7,12-15H2,1-3H3.
What are the key properties of N'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 363.93 g/mol, XLogP of 4.32, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 46225697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).