N-(7-chloroquinolin-4-yl)-N'-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N'-methylpropane-1,3-diamine

C25H27Cl2N5 — CID 10576232

IUPACN-(7-chloroquinolin-4-yl)-N'-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCNc1ccnc2cc(Cl)ccc12)CCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C25H27Cl2N5/c1-32(14-2-10-28-22-8-12-30-24-16-18(26)4-6-20(22)24)15-3-11-29-23-9-13-31-25-17-19(27)5-7-21(23)25/h4-9,12-13,16-17H,2-3,10-11,14-15H2,1H3,(H,28,30)(H,29,31)
InChIKeyWYKGDIRHMPEZMN-UHFFFAOYSA-N
MW468.43 g/mol
LogP6.33
Rot. Bonds10

About N-(7-chloroquinolin-4-yl)-N'-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N'-methylpropane-1,3-diamine

N-(7-chloroquinolin-4-yl)-N'-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N'-methylpropane-1,3-diamine (PubChem CID 10576232) has the molecular formula C25H27Cl2N5 and a molecular weight of 468.43 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N'-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-N'-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N'-methylpropane-1,3-diamine
PubChem CID10576232
Molecular FormulaC25H27Cl2N5
Molecular Weight468.43 g/mol
Exact Mass467.16
IUPAC NameN-(7-chloroquinolin-4-yl)-N'-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCNc1ccnc2cc(Cl)ccc12)CCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C25H27Cl2N5/c1-32(14-2-10-28-22-8-12-30-24-16-18(26)4-6-20(22)24)15-3-11-29-23-9-13-31-25-17-19(27)5-7-21(23)25/h4-9,12-13,16-17H,2-3,10-11,14-15H2,1H3,(H,28,30)(H,29,31)
InChIKeyWYKGDIRHMPEZMN-UHFFFAOYSA-N
XLogP6.33
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.43
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(7-chloroquinolin-4-yl)-N'-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N-(7-chloroquinolin-4-yl)-N'-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N'-methylpropane-1,3-diamine (CID 10576232) is N-(7-chloroquinolin-4-yl)-N'-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N'-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-N'-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N'-methylpropane-1,3-diamine is CN(CCCNc1ccnc2cc(Cl)ccc12)CCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-N'-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N'-methylpropane-1,3-diamine?
The InChIKey is WYKGDIRHMPEZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N5/c1-32(14-2-10-28-22-8-12-30-24-16-18(26)4-6-20(22)24)15-3-11-29-23-9-13-31-25-17-19(27)5-7-21(23)25/h4-9,12-13,16-17H,2-3,10-11,14-15H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-(7-chloroquinolin-4-yl)-N'-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N'-methylpropane-1,3-diamine?
N-(7-chloroquinolin-4-yl)-N'-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N'-methylpropane-1,3-diamine has a molecular weight of 468.43 g/mol, XLogP of 6.33, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloroquinolin-4-yl)-N'-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 10576232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).