4-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylheptane-1,7-diamine

C24H38ClN3O — CID 24881542

IUPAC4-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylheptane-1,7-diamine
SMILESCCN(CC)CCCC(CCCN(CC)CC)Oc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C24H38ClN3O/c1-5-27(6-2)17-9-11-21(12-10-18-28(7-3)8-4)29-24-15-16-26-23-19-20(25)13-14-22(23)24/h13-16,19,21H,5-12,17-18H2,1-4H3
InChIKeySVKPDLXJCFGORR-UHFFFAOYSA-N
MW420.04 g/mol
LogP5.88
Rot. Bonds14

About 4-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylheptane-1,7-diamine

4-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylheptane-1,7-diamine (PubChem CID 24881542) has the molecular formula C24H38ClN3O and a molecular weight of 420.04 g/mol. Its IUPAC name is 4-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylheptane-1,7-diamine.

Molecular Properties

Compound Name4-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylheptane-1,7-diamine
PubChem CID24881542
Molecular FormulaC24H38ClN3O
Molecular Weight420.04 g/mol
Exact Mass419.27
IUPAC Name4-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylheptane-1,7-diamine
SMILESCCN(CC)CCCC(CCCN(CC)CC)Oc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C24H38ClN3O/c1-5-27(6-2)17-9-11-21(12-10-18-28(7-3)8-4)29-24-15-16-26-23-19-20(25)13-14-22(23)24/h13-16,19,21H,5-12,17-18H2,1-4H3
InChIKeySVKPDLXJCFGORR-UHFFFAOYSA-N
XLogP5.88
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.04
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylheptane-1,7-diamine?
The IUPAC name of 4-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylheptane-1,7-diamine (CID 24881542) is 4-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylheptane-1,7-diamine.
What is the SMILES notation for 4-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylheptane-1,7-diamine?
The canonical SMILES for 4-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylheptane-1,7-diamine is CCN(CC)CCCC(CCCN(CC)CC)Oc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 4-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylheptane-1,7-diamine?
The InChIKey is SVKPDLXJCFGORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38ClN3O/c1-5-27(6-2)17-9-11-21(12-10-18-28(7-3)8-4)29-24-15-16-26-23-19-20(25)13-14-22(23)24/h13-16,19,21H,5-12,17-18H2,1-4H3.
What are the key properties of 4-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylheptane-1,7-diamine?
4-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylheptane-1,7-diamine has a molecular weight of 420.04 g/mol, XLogP of 5.88, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylheptane-1,7-diamine is sourced from PubChem (CID 24881542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).