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

C24H25Cl2N5 — CID 10575691

IUPACN'-(7-chloroquinolin-4-yl)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]propane-1,3-diamine
SMILESClc1ccc2c(NCCCNCCCNc3ccnc4cc(Cl)ccc34)ccnc2c1
InChIInChI=1S/C24H25Cl2N5/c25-17-3-5-19-21(7-13-30-23(19)15-17)28-11-1-9-27-10-2-12-29-22-8-14-31-24-16-18(26)4-6-20(22)24/h3-8,13-16,27H,1-2,9-12H2,(H,28,30)(H,29,31)
InChIKeyHROACHSLAKGFBN-UHFFFAOYSA-N
MW454.41 g/mol
LogP5.98
Rot. Bonds10

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

N'-(7-chloroquinolin-4-yl)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]propane-1,3-diamine (PubChem CID 10575691) has the molecular formula C24H25Cl2N5 and a molecular weight of 454.41 g/mol. Its IUPAC name is N'-(7-chloroquinolin-4-yl)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(7-chloroquinolin-4-yl)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]propane-1,3-diamine
PubChem CID10575691
Molecular FormulaC24H25Cl2N5
Molecular Weight454.41 g/mol
Exact Mass453.15
IUPAC NameN'-(7-chloroquinolin-4-yl)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]propane-1,3-diamine
SMILESClc1ccc2c(NCCCNCCCNc3ccnc4cc(Cl)ccc34)ccnc2c1
InChIInChI=1S/C24H25Cl2N5/c25-17-3-5-19-21(7-13-30-23(19)15-17)28-11-1-9-27-10-2-12-29-22-8-14-31-24-16-18(26)4-6-20(22)24/h3-8,13-16,27H,1-2,9-12H2,(H,28,30)(H,29,31)
InChIKeyHROACHSLAKGFBN-UHFFFAOYSA-N
XLogP5.98
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.41
LogP ≤ 55.98
H-Bond Donors ≤ 53
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]propane-1,3-diamine?
The IUPAC name of N'-(7-chloroquinolin-4-yl)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]propane-1,3-diamine (CID 10575691) is N'-(7-chloroquinolin-4-yl)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]propane-1,3-diamine.
What is the SMILES notation for N'-(7-chloroquinolin-4-yl)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]propane-1,3-diamine?
The canonical SMILES for N'-(7-chloroquinolin-4-yl)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]propane-1,3-diamine is Clc1ccc2c(NCCCNCCCNc3ccnc4cc(Cl)ccc34)ccnc2c1.
What is the InChIKey of N'-(7-chloroquinolin-4-yl)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]propane-1,3-diamine?
The InChIKey is HROACHSLAKGFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N5/c25-17-3-5-19-21(7-13-30-23(19)15-17)28-11-1-9-27-10-2-12-29-22-8-14-31-24-16-18(26)4-6-20(22)24/h3-8,13-16,27H,1-2,9-12H2,(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]propane-1,3-diamine?
N'-(7-chloroquinolin-4-yl)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]propane-1,3-diamine has a molecular weight of 454.41 g/mol, XLogP of 5.98, 10 rotatable bonds, 3 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]propane-1,3-diamine is sourced from PubChem (CID 10575691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).