N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine

C21H25ClN4 — CID 46889000

IUPACN-(7-chloroquinolin-4-yl)-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
SMILESCCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1ccccn1
InChIInChI=1S/C21H25ClN4/c1-2-13-26(16-18-6-3-4-10-23-18)14-5-11-24-20-9-12-25-21-15-17(22)7-8-19(20)21/h3-4,6-10,12,15H,2,5,11,13-14,16H2,1H3,(H,24,25)
InChIKeyYNSCZKKJGZTEAH-UHFFFAOYSA-N
MW368.91 g/mol
LogP5.00
Rot. Bonds9

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

N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine (PubChem CID 46889000) has the molecular formula C21H25ClN4 and a molecular weight of 368.91 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
PubChem CID46889000
Molecular FormulaC21H25ClN4
Molecular Weight368.91 g/mol
Exact Mass368.18
IUPAC NameN-(7-chloroquinolin-4-yl)-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
SMILESCCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1ccccn1
InChIInChI=1S/C21H25ClN4/c1-2-13-26(16-18-6-3-4-10-23-18)14-5-11-24-20-9-12-25-21-15-17(22)7-8-19(20)21/h3-4,6-10,12,15H,2,5,11,13-14,16H2,1H3,(H,24,25)
InChIKeyYNSCZKKJGZTEAH-UHFFFAOYSA-N
XLogP5.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 55.00
H-Bond Donors ≤ 51
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'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine (CID 46889000) is N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine is CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1ccccn1.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The InChIKey is YNSCZKKJGZTEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4/c1-2-13-26(16-18-6-3-4-10-23-18)14-5-11-24-20-9-12-25-21-15-17(22)7-8-19(20)21/h3-4,6-10,12,15H,2,5,11,13-14,16H2,1H3,(H,24,25).
What are the key properties of N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine has a molecular weight of 368.91 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 46889000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).