2-[2-[2-(quinolin-8-ylamino)ethylamino]ethylamino]benzonitrile

C20H21N5 — CID 67942464

IUPAC2-[2-[2-(quinolin-8-ylamino)ethylamino]ethylamino]benzonitrile
SMILESN#Cc1ccccc1NCCNCCNc1cccc2cccnc12
InChIInChI=1S/C20H21N5/c21-15-17-5-1-2-8-18(17)23-13-11-22-12-14-24-19-9-3-6-16-7-4-10-25-20(16)19/h1-10,22-24H,11-14H2
InChIKeyAURPFCUMSOFBTH-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.22
Rot. Bonds8

About 2-[2-[2-(quinolin-8-ylamino)ethylamino]ethylamino]benzonitrile

2-[2-[2-(quinolin-8-ylamino)ethylamino]ethylamino]benzonitrile (PubChem CID 67942464) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[2-[2-(quinolin-8-ylamino)ethylamino]ethylamino]benzonitrile.

Molecular Properties

Compound Name2-[2-[2-(quinolin-8-ylamino)ethylamino]ethylamino]benzonitrile
PubChem CID67942464
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name2-[2-[2-(quinolin-8-ylamino)ethylamino]ethylamino]benzonitrile
SMILESN#Cc1ccccc1NCCNCCNc1cccc2cccnc12
InChIInChI=1S/C20H21N5/c21-15-17-5-1-2-8-18(17)23-13-11-22-12-14-24-19-9-3-6-16-7-4-10-25-20(16)19/h1-10,22-24H,11-14H2
InChIKeyAURPFCUMSOFBTH-UHFFFAOYSA-N
XLogP3.22
TPSA72.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(quinolin-8-ylamino)benzonitrile
CID 28601412
N-[2-[(3-chloro-2-pyridinyl)amino]ethyl]-N'-quinolin-8-ylethane-1,2-diamine
CID 67942644
1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109050221
quinoline-8-carbonitrile;trihydrochloride
CID 141468212
N-(3,3-dimethylbutyl)quinolin-8-amine
CID 62965994
N-heptylquinolin-8-amine
CID 43130175
2-(3-aminopropylamino)benzonitrile
CID 62269856
N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 20827882
N-(3-methoxy-3-methylbutyl)quinolin-8-amine
CID 106675039
2-methyl-5-(quinolin-8-ylamino)pentan-2-ol
CID 118731137
2-(5-aminopentylamino)benzonitrile
CID 164917879
4-bromo-2-(quinolin-8-ylmethylamino)benzonitrile
CID 114902063

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(quinolin-8-ylamino)ethylamino]ethylamino]benzonitrile?
The IUPAC name of 2-[2-[2-(quinolin-8-ylamino)ethylamino]ethylamino]benzonitrile (CID 67942464) is 2-[2-[2-(quinolin-8-ylamino)ethylamino]ethylamino]benzonitrile.
What is the SMILES notation for 2-[2-[2-(quinolin-8-ylamino)ethylamino]ethylamino]benzonitrile?
The canonical SMILES for 2-[2-[2-(quinolin-8-ylamino)ethylamino]ethylamino]benzonitrile is N#Cc1ccccc1NCCNCCNc1cccc2cccnc12.
What is the InChIKey of 2-[2-[2-(quinolin-8-ylamino)ethylamino]ethylamino]benzonitrile?
The InChIKey is AURPFCUMSOFBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c21-15-17-5-1-2-8-18(17)23-13-11-22-12-14-24-19-9-3-6-16-7-4-10-25-20(16)19/h1-10,22-24H,11-14H2.
What are the key properties of 2-[2-[2-(quinolin-8-ylamino)ethylamino]ethylamino]benzonitrile?
2-[2-[2-(quinolin-8-ylamino)ethylamino]ethylamino]benzonitrile has a molecular weight of 331.42 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(quinolin-8-ylamino)ethylamino]ethylamino]benzonitrile is sourced from PubChem (CID 67942464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).