(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine

C22H18Cl2N4 — CID 18933493

IUPAC(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
SMILESClc1ccc2c(NC/C=C/CNc3ccnc4cc(Cl)ccc34)ccnc2c1
InChIInChI=1S/C22H18Cl2N4/c23-15-3-5-17-19(7-11-27-21(17)13-15)25-9-1-2-10-26-20-8-12-28-22-14-16(24)4-6-18(20)22/h1-8,11-14H,9-10H2,(H,25,27)(H,26,28)/b2-1+
InChIKeyDXNMHDDCUZXSAB-OWOJBTEDSA-N
MW409.32 g/mol
LogP6.17
Rot. Bonds6

About (E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine

(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine (PubChem CID 18933493) has the molecular formula C22H18Cl2N4 and a molecular weight of 409.32 g/mol. Its IUPAC name is (E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
PubChem CID18933493
Molecular FormulaC22H18Cl2N4
Molecular Weight409.32 g/mol
Exact Mass408.09
IUPAC Name(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
SMILESClc1ccc2c(NC/C=C/CNc3ccnc4cc(Cl)ccc34)ccnc2c1
InChIInChI=1S/C22H18Cl2N4/c23-15-3-5-17-19(7-11-27-21(17)13-15)25-9-1-2-10-26-20-8-12-28-22-14-16(24)4-6-18(20)22/h1-8,11-14H,9-10H2,(H,25,27)(H,26,28)/b2-1+
InChIKeyDXNMHDDCUZXSAB-OWOJBTEDSA-N
XLogP6.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.32
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine with MolForge

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Related Compounds

N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-butyl-7-chloroquinolin-4-amine
CID 10037042
CID 10433026
CID 10433026
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
N-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-7-chloroquinolin-4-amine
CID 68634794
7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine
CID 65027745
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol
CID 62060056
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
CID 70870191
CID 70870191
7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133354915
3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307879

Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine?
The IUPAC name of (E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine (CID 18933493) is (E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine?
The canonical SMILES for (E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine is Clc1ccc2c(NC/C=C/CNc3ccnc4cc(Cl)ccc34)ccnc2c1.
What is the InChIKey of (E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine?
The InChIKey is DXNMHDDCUZXSAB-OWOJBTEDSA-N. The full InChI is InChI=1S/C22H18Cl2N4/c23-15-3-5-17-19(7-11-27-21(17)13-15)25-9-1-2-10-26-20-8-12-28-22-14-16(24)4-6-18(20)22/h1-8,11-14H,9-10H2,(H,25,27)(H,26,28)/b2-1+.
What are the key properties of (E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine?
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine has a molecular weight of 409.32 g/mol, XLogP of 6.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine is sourced from PubChem (CID 18933493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).