N'-(7-chloroquinolin-4-yl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]propane-1,3-diamine

C23H23Cl2N5 — CID 10765555

IUPACN'-(7-chloroquinolin-4-yl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]propane-1,3-diamine
SMILESClc1ccc2c(NCCCNCCNc3ccnc4cc(Cl)ccc34)ccnc2c1
InChIInChI=1S/C23H23Cl2N5/c24-16-2-4-18-20(6-10-28-22(18)14-16)27-9-1-8-26-12-13-30-21-7-11-29-23-15-17(25)3-5-19(21)23/h2-7,10-11,14-15,26H,1,8-9,12-13H2,(H,27,28)(H,29,30)
InChIKeyKCPBIAZJEHWGBR-UHFFFAOYSA-N
MW440.38 g/mol
LogP5.59
Rot. Bonds9

About N'-(7-chloroquinolin-4-yl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]propane-1,3-diamine

N'-(7-chloroquinolin-4-yl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]propane-1,3-diamine (PubChem CID 10765555) has the molecular formula C23H23Cl2N5 and a molecular weight of 440.38 g/mol. Its IUPAC name is N'-(7-chloroquinolin-4-yl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(7-chloroquinolin-4-yl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]propane-1,3-diamine
PubChem CID10765555
Molecular FormulaC23H23Cl2N5
Molecular Weight440.38 g/mol
Exact Mass439.13
IUPAC NameN'-(7-chloroquinolin-4-yl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]propane-1,3-diamine
SMILESClc1ccc2c(NCCCNCCNc3ccnc4cc(Cl)ccc34)ccnc2c1
InChIInChI=1S/C23H23Cl2N5/c24-16-2-4-18-20(6-10-28-22(18)14-16)27-9-1-8-26-12-13-30-21-7-11-29-23-15-17(25)3-5-19(21)23/h2-7,10-11,14-15,26H,1,8-9,12-13H2,(H,27,28)(H,29,30)
InChIKeyKCPBIAZJEHWGBR-UHFFFAOYSA-N
XLogP5.59
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.38
LogP ≤ 55.59
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-[2-[(7-chloroquinolin-4-yl)amino]ethyl]propane-1,3-diamine?
The IUPAC name of N'-(7-chloroquinolin-4-yl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]propane-1,3-diamine (CID 10765555) is N'-(7-chloroquinolin-4-yl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-(7-chloroquinolin-4-yl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]propane-1,3-diamine?
The canonical SMILES for N'-(7-chloroquinolin-4-yl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]propane-1,3-diamine is Clc1ccc2c(NCCCNCCNc3ccnc4cc(Cl)ccc34)ccnc2c1.
What is the InChIKey of N'-(7-chloroquinolin-4-yl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]propane-1,3-diamine?
The InChIKey is KCPBIAZJEHWGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5/c24-16-2-4-18-20(6-10-28-22(18)14-16)27-9-1-8-26-12-13-30-21-7-11-29-23-15-17(25)3-5-19(21)23/h2-7,10-11,14-15,26H,1,8-9,12-13H2,(H,27,28)(H,29,30).
What are the key properties of N'-(7-chloroquinolin-4-yl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]propane-1,3-diamine?
N'-(7-chloroquinolin-4-yl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]propane-1,3-diamine has a molecular weight of 440.38 g/mol, XLogP of 5.59, 9 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-[2-[(7-chloroquinolin-4-yl)amino]ethyl]propane-1,3-diamine is sourced from PubChem (CID 10765555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).