2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine

C13H17ClN4 — CID 112617884

IUPAC2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
SMILESCN(C)NC(CN)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H17ClN4/c1-18(2)17-12(8-15)10-5-6-11(14)9-4-3-7-16-13(9)10/h3-7,12,17H,8,15H2,1-2H3
InChIKeyUMJOFDQFQMBIOT-UHFFFAOYSA-N
MW264.76 g/mol
LogP1.95
Rot. Bonds4

About 2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine

2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine (PubChem CID 112617884) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
PubChem CID112617884
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
SMILESCN(C)NC(CN)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H17ClN4/c1-18(2)17-12(8-15)10-5-6-11(14)9-4-3-7-16-13(9)10/h3-7,12,17H,8,15H2,1-2H3
InChIKeyUMJOFDQFQMBIOT-UHFFFAOYSA-N
XLogP1.95
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine?
The IUPAC name of 2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine (CID 112617884) is 2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine is CN(C)NC(CN)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine?
The InChIKey is UMJOFDQFQMBIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-18(2)17-12(8-15)10-5-6-11(14)9-4-3-7-16-13(9)10/h3-7,12,17H,8,15H2,1-2H3.
What are the key properties of 2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine?
2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine has a molecular weight of 264.76 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine is sourced from PubChem (CID 112617884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).