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

C22H21ClN4 — CID 102583966

IUPACN'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine
SMILESClc1ccc2c(NCCCNCc3ccnc4ccccc34)ccnc2c1
InChIInChI=1S/C22H21ClN4/c23-17-6-7-19-21(9-13-27-22(19)14-17)25-11-3-10-24-15-16-8-12-26-20-5-2-1-4-18(16)20/h1-2,4-9,12-14,24H,3,10-11,15H2,(H,25,27)
InChIKeyWQDGNUUSPJIMQN-UHFFFAOYSA-N
MW376.89 g/mol
LogP5.03
Rot. Bonds7

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

N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine (PubChem CID 102583966) has the molecular formula C22H21ClN4 and a molecular weight of 376.89 g/mol. Its IUPAC name is N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine
PubChem CID102583966
Molecular FormulaC22H21ClN4
Molecular Weight376.89 g/mol
Exact Mass376.15
IUPAC NameN'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine
SMILESClc1ccc2c(NCCCNCc3ccnc4ccccc34)ccnc2c1
InChIInChI=1S/C22H21ClN4/c23-17-6-7-19-21(9-13-27-22(19)14-17)25-11-3-10-24-15-16-8-12-26-20-5-2-1-4-18(16)20/h1-2,4-9,12-14,24H,3,10-11,15H2,(H,25,27)
InChIKeyWQDGNUUSPJIMQN-UHFFFAOYSA-N
XLogP5.03
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine with MolForge

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Related Compounds

N-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine
CID 71761856
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'-(7-chloroquinolin-4-yl)-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 155513408
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-[(4-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 71761858
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine
CID 155559378
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'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine (CID 102583966) is N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine is Clc1ccc2c(NCCCNCc3ccnc4ccccc34)ccnc2c1.
What is the InChIKey of N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine?
The InChIKey is WQDGNUUSPJIMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4/c23-17-6-7-19-21(9-13-27-22(19)14-17)25-11-3-10-24-15-16-8-12-26-20-5-2-1-4-18(16)20/h1-2,4-9,12-14,24H,3,10-11,15H2,(H,25,27).
What are the key properties of N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine?
N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine has a molecular weight of 376.89 g/mol, XLogP of 5.03, 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-(quinolin-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 102583966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).