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

C26H28Cl2N4 — CID 57117786

IUPACN',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine
SMILESNCCCCCCCCN(c1ccnc2cc(Cl)ccc12)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C26H28Cl2N4/c27-19-7-9-21-23(17-19)30-14-11-25(21)32(16-6-4-2-1-3-5-13-29)26-12-15-31-24-18-20(28)8-10-22(24)26/h7-12,14-15,17-18H,1-6,13,16,29H2
InChIKeySTBOVSVTDJZTNG-UHFFFAOYSA-N
MW467.44 g/mol
LogP7.53
Rot. Bonds10

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

N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine (PubChem CID 57117786) has the molecular formula C26H28Cl2N4 and a molecular weight of 467.44 g/mol. Its IUPAC name is N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine.

Molecular Properties

Compound NameN',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine
PubChem CID57117786
Molecular FormulaC26H28Cl2N4
Molecular Weight467.44 g/mol
Exact Mass466.17
IUPAC NameN',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine
SMILESNCCCCCCCCN(c1ccnc2cc(Cl)ccc12)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C26H28Cl2N4/c27-19-7-9-21-23(17-19)30-14-11-25(21)32(16-6-4-2-1-3-5-13-29)26-12-15-31-24-18-20(28)8-10-22(24)26/h7-12,14-15,17-18H,1-6,13,16,29H2
InChIKeySTBOVSVTDJZTNG-UHFFFAOYSA-N
XLogP7.53
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.44
LogP ≤ 57.53
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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Related Compounds

N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 60869676
5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
CID 107203509
N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine
CID 66921220
N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494340
N'-(7-chloroquinolin-4-yl)-N'-cyclobutylethane-1,2-diamine
CID 102874825
N'-(7-chloroquinolin-4-yl)-N'-cyclopentylethane-1,2-diamine
CID 62586557
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 87205570
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine
CID 80674237
N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,3-bis(trifluoromethyl)benzamide
CID 87205560
N-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide
CID 20753586

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine?
The IUPAC name of N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine (CID 57117786) is N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine.
What is the SMILES notation for N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine?
The canonical SMILES for N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine is NCCCCCCCCN(c1ccnc2cc(Cl)ccc12)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine?
The InChIKey is STBOVSVTDJZTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N4/c27-19-7-9-21-23(17-19)30-14-11-25(21)32(16-6-4-2-1-3-5-13-29)26-12-15-31-24-18-20(28)8-10-22(24)26/h7-12,14-15,17-18H,1-6,13,16,29H2.
What are the key properties of N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine?
N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine has a molecular weight of 467.44 g/mol, XLogP of 7.53, 10 rotatable bonds, 1 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 is sourced from PubChem (CID 57117786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).