N-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine

C18H18Cl2N4 — CID 71761856

IUPACN-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine
SMILESClc1ccc2c(NCCCNCc3cnccc3Cl)ccnc2c1
InChIInChI=1S/C18H18Cl2N4/c19-14-2-3-15-17(5-9-24-18(15)10-14)23-7-1-6-21-11-13-12-22-8-4-16(13)20/h2-5,8-10,12,21H,1,6-7,11H2,(H,23,24)
InChIKeyXEOCMMXNTDALKH-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.53
Rot. Bonds7

About N-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine

N-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine (PubChem CID 71761856) has the molecular formula C18H18Cl2N4 and a molecular weight of 361.28 g/mol. Its IUPAC name is N-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine
PubChem CID71761856
Molecular FormulaC18H18Cl2N4
Molecular Weight361.28 g/mol
Exact Mass360.09
IUPAC NameN-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine
SMILESClc1ccc2c(NCCCNCc3cnccc3Cl)ccnc2c1
InChIInChI=1S/C18H18Cl2N4/c19-14-2-3-15-17(5-9-24-18(15)10-14)23-7-1-6-21-11-13-12-22-8-4-16(13)20/h2-5,8-10,12,21H,1,6-7,11H2,(H,23,24)
InChIKeyXEOCMMXNTDALKH-UHFFFAOYSA-N
XLogP4.53
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine with MolForge

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Related Compounds

N'-(7-chloroquinolin-4-yl)-N-[(4-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 71761858
N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 102583966
2-[3-[(7-chloroquinolin-4-yl)amino]propylamino]ethanethiol
CID 14522863
4-bromo-3-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenol
CID 162444660
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol
CID 46222242
N'-(7-chloroquinolin-4-yl)-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 155513408
N-butyl-7-chloroquinolin-4-amine
CID 10037042
CID 70870191
CID 70870191
CID 10553106
CID 10553106
4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4,6-triamine
CID 71508321
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine?
The IUPAC name of N-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine (CID 71761856) is N-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine?
The canonical SMILES for N-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine is Clc1ccc2c(NCCCNCc3cnccc3Cl)ccnc2c1.
What is the InChIKey of N-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine?
The InChIKey is XEOCMMXNTDALKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4/c19-14-2-3-15-17(5-9-24-18(15)10-14)23-7-1-6-21-11-13-12-22-8-4-16(13)20/h2-5,8-10,12,21H,1,6-7,11H2,(H,23,24).
What are the key properties of N-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine?
N-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine has a molecular weight of 361.28 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 71761856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).