N'-(7-chloroquinolin-4-yl)-N-(pyridin-4-ylmethyl)propane-1,3-diamine

C18H19ClN4 — CID 11174803

IUPACN'-(7-chloroquinolin-4-yl)-N-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESClc1ccc2c(NCCCNCc3ccncc3)ccnc2c1
InChIInChI=1S/C18H19ClN4/c19-15-2-3-16-17(6-11-23-18(16)12-15)22-8-1-7-21-13-14-4-9-20-10-5-14/h2-6,9-12,21H,1,7-8,13H2,(H,22,23)
InChIKeyQGYJBIVWSOGTRH-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.88
Rot. Bonds7

About N'-(7-chloroquinolin-4-yl)-N-(pyridin-4-ylmethyl)propane-1,3-diamine

N'-(7-chloroquinolin-4-yl)-N-(pyridin-4-ylmethyl)propane-1,3-diamine (PubChem CID 11174803) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is N'-(7-chloroquinolin-4-yl)-N-(pyridin-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(7-chloroquinolin-4-yl)-N-(pyridin-4-ylmethyl)propane-1,3-diamine
PubChem CID11174803
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC NameN'-(7-chloroquinolin-4-yl)-N-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESClc1ccc2c(NCCCNCc3ccncc3)ccnc2c1
InChIInChI=1S/C18H19ClN4/c19-15-2-3-16-17(6-11-23-18(16)12-15)22-8-1-7-21-13-14-4-9-20-10-5-14/h2-6,9-12,21H,1,7-8,13H2,(H,22,23)
InChIKeyQGYJBIVWSOGTRH-UHFFFAOYSA-N
XLogP3.88
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.88
H-Bond Donors ≤ 52
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 N'-(7-chloroquinolin-4-yl)-N-(pyridin-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(7-chloroquinolin-4-yl)-N-(pyridin-4-ylmethyl)propane-1,3-diamine (CID 11174803) is N'-(7-chloroquinolin-4-yl)-N-(pyridin-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(7-chloroquinolin-4-yl)-N-(pyridin-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(7-chloroquinolin-4-yl)-N-(pyridin-4-ylmethyl)propane-1,3-diamine is Clc1ccc2c(NCCCNCc3ccncc3)ccnc2c1.
What is the InChIKey of N'-(7-chloroquinolin-4-yl)-N-(pyridin-4-ylmethyl)propane-1,3-diamine?
The InChIKey is QGYJBIVWSOGTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c19-15-2-3-16-17(6-11-23-18(16)12-15)22-8-1-7-21-13-14-4-9-20-10-5-14/h2-6,9-12,21H,1,7-8,13H2,(H,22,23).
What are the key properties of N'-(7-chloroquinolin-4-yl)-N-(pyridin-4-ylmethyl)propane-1,3-diamine?
N'-(7-chloroquinolin-4-yl)-N-(pyridin-4-ylmethyl)propane-1,3-diamine has a molecular weight of 326.83 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-chloroquinolin-4-yl)-N-(pyridin-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 11174803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).