N'-(2-chloropyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)propane-1,3-diamine

C16H15Cl2N5 — CID 71736284

IUPACN'-(2-chloropyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)propane-1,3-diamine
SMILESClc1ccc2c(NCCCNc3ccnc(Cl)n3)ccnc2c1
InChIInChI=1S/C16H15Cl2N5/c17-11-2-3-12-13(4-8-20-14(12)10-11)19-6-1-7-21-15-5-9-22-16(18)23-15/h2-5,8-10H,1,6-7H2,(H,19,20)(H,21,22,23)
InChIKeyHVNBVLJCWPBWFV-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.25
Rot. Bonds6

About N'-(2-chloropyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)propane-1,3-diamine

N'-(2-chloropyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)propane-1,3-diamine (PubChem CID 71736284) has the molecular formula C16H15Cl2N5 and a molecular weight of 348.24 g/mol. Its IUPAC name is N'-(2-chloropyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-chloropyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)propane-1,3-diamine
PubChem CID71736284
Molecular FormulaC16H15Cl2N5
Molecular Weight348.24 g/mol
Exact Mass347.07
IUPAC NameN'-(2-chloropyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)propane-1,3-diamine
SMILESClc1ccc2c(NCCCNc3ccnc(Cl)n3)ccnc2c1
InChIInChI=1S/C16H15Cl2N5/c17-11-2-3-12-13(4-8-20-14(12)10-11)19-6-1-7-21-15-5-9-22-16(18)23-15/h2-5,8-10H,1,6-7H2,(H,19,20)(H,21,22,23)
InChIKeyHVNBVLJCWPBWFV-UHFFFAOYSA-N
XLogP4.25
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.25
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'-(2-chloropyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-chloropyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)propane-1,3-diamine (CID 71736284) is N'-(2-chloropyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-chloropyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-chloropyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)propane-1,3-diamine is Clc1ccc2c(NCCCNc3ccnc(Cl)n3)ccnc2c1.
What is the InChIKey of N'-(2-chloropyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)propane-1,3-diamine?
The InChIKey is HVNBVLJCWPBWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5/c17-11-2-3-12-13(4-8-20-14(12)10-11)19-6-1-7-21-15-5-9-22-16(18)23-15/h2-5,8-10H,1,6-7H2,(H,19,20)(H,21,22,23).
What are the key properties of N'-(2-chloropyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)propane-1,3-diamine?
N'-(2-chloropyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)propane-1,3-diamine has a molecular weight of 348.24 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloropyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 71736284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).