N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride

C26H29Cl3N4 — CID 44531641

IUPACN,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
SMILESCl.Clc1ccc2c(NCCCCCCCCNc3ccnc4cc(Cl)ccc34)ccnc2c1
InChIInChI=1S/C26H28Cl2N4.ClH/c27-19-7-9-21-23(11-15-31-25(21)17-19)29-13-5-3-1-2-4-6-14-30-24-12-16-32-26-18-20(28)8-10-22(24)26;/h7-12,15-18H,1-6,13-14H2,(H,29,31)(H,30,32);1H
InChIKeyQPZNGUUTAPGQOS-UHFFFAOYSA-N
MW503.91 g/mol
LogP8.38
Rot. Bonds11

About N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride

N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride (PubChem CID 44531641) has the molecular formula C26H29Cl3N4 and a molecular weight of 503.91 g/mol. Its IUPAC name is N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride.

Molecular Properties

Compound NameN,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
PubChem CID44531641
Molecular FormulaC26H29Cl3N4
Molecular Weight503.91 g/mol
Exact Mass502.15
IUPAC NameN,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
SMILESCl.Clc1ccc2c(NCCCCCCCCNc3ccnc4cc(Cl)ccc34)ccnc2c1
InChIInChI=1S/C26H28Cl2N4.ClH/c27-19-7-9-21-23(11-15-31-25(21)17-19)29-13-5-3-1-2-4-6-14-30-24-12-16-32-26-18-20(28)8-10-22(24)26;/h7-12,15-18H,1-6,13-14H2,(H,29,31)(H,30,32);1H
InChIKeyQPZNGUUTAPGQOS-UHFFFAOYSA-N
XLogP8.38
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.91
LogP ≤ 58.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride with MolForge

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Related Compounds

6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine
CID 155559378
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
CID 70870191
CID 70870191
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896
2-[3-[(7-chloroquinolin-4-yl)amino]propylamino]ethanethiol
CID 14522863
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
4-[(7-chloroquinolin-4-yl)amino]butyl nitrate
CID 54051305
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride?
The IUPAC name of N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride (CID 44531641) is N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride.
What is the SMILES notation for N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride?
The canonical SMILES for N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride is Cl.Clc1ccc2c(NCCCCCCCCNc3ccnc4cc(Cl)ccc34)ccnc2c1.
What is the InChIKey of N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride?
The InChIKey is QPZNGUUTAPGQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N4.ClH/c27-19-7-9-21-23(11-15-31-25(21)17-19)29-13-5-3-1-2-4-6-14-30-24-12-16-32-26-18-20(28)8-10-22(24)26;/h7-12,15-18H,1-6,13-14H2,(H,29,31)(H,30,32);1H.
What are the key properties of N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride?
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride has a molecular weight of 503.91 g/mol, XLogP of 8.38, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride is sourced from PubChem (CID 44531641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).