5-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylnonane-1,9-diamine

C26H42ClN3O — CID 24881607

IUPAC5-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylnonane-1,9-diamine
SMILESCCN(CC)CCCCC(CCCCN(CC)CC)Oc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C26H42ClN3O/c1-5-29(6-2)19-11-9-13-23(14-10-12-20-30(7-3)8-4)31-26-17-18-28-25-21-22(27)15-16-24(25)26/h15-18,21,23H,5-14,19-20H2,1-4H3
InChIKeyPONQSXOUYWHUDO-UHFFFAOYSA-N
MW448.10 g/mol
LogP6.66
Rot. Bonds16

About 5-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylnonane-1,9-diamine

5-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylnonane-1,9-diamine (PubChem CID 24881607) has the molecular formula C26H42ClN3O and a molecular weight of 448.10 g/mol. Its IUPAC name is 5-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylnonane-1,9-diamine.

Molecular Properties

Compound Name5-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylnonane-1,9-diamine
PubChem CID24881607
Molecular FormulaC26H42ClN3O
Molecular Weight448.10 g/mol
Exact Mass447.30
IUPAC Name5-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylnonane-1,9-diamine
SMILESCCN(CC)CCCCC(CCCCN(CC)CC)Oc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C26H42ClN3O/c1-5-29(6-2)19-11-9-13-23(14-10-12-20-30(7-3)8-4)31-26-17-18-28-25-21-22(27)15-16-24(25)26/h15-18,21,23H,5-14,19-20H2,1-4H3
InChIKeyPONQSXOUYWHUDO-UHFFFAOYSA-N
XLogP6.66
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.10
LogP ≤ 56.66
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 5-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylnonane-1,9-diamine?
The IUPAC name of 5-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylnonane-1,9-diamine (CID 24881607) is 5-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylnonane-1,9-diamine.
What is the SMILES notation for 5-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylnonane-1,9-diamine?
The canonical SMILES for 5-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylnonane-1,9-diamine is CCN(CC)CCCCC(CCCCN(CC)CC)Oc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 5-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylnonane-1,9-diamine?
The InChIKey is PONQSXOUYWHUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42ClN3O/c1-5-29(6-2)19-11-9-13-23(14-10-12-20-30(7-3)8-4)31-26-17-18-28-25-21-22(27)15-16-24(25)26/h15-18,21,23H,5-14,19-20H2,1-4H3.
What are the key properties of 5-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylnonane-1,9-diamine?
5-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylnonane-1,9-diamine has a molecular weight of 448.10 g/mol, XLogP of 6.66, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylnonane-1,9-diamine is sourced from PubChem (CID 24881607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).