3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine

C15H13ClN4 — CID 23770473

IUPAC3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine
SMILESClc1nc2ccccc2nc1NCCc1ccccn1
InChIInChI=1S/C15H13ClN4/c16-14-15(18-10-8-11-5-3-4-9-17-11)20-13-7-2-1-6-12(13)19-14/h1-7,9H,8,10H2,(H,18,20)
InChIKeyWRDCJNRCJUEPSN-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.33
Rot. Bonds4

About 3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine

3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine (PubChem CID 23770473) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine
PubChem CID23770473
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine
SMILESClc1nc2ccccc2nc1NCCc1ccccn1
InChIInChI=1S/C15H13ClN4/c16-14-15(18-10-8-11-5-3-4-9-17-11)20-13-7-2-1-6-12(13)19-14/h1-7,9H,8,10H2,(H,18,20)
InChIKeyWRDCJNRCJUEPSN-UHFFFAOYSA-N
XLogP3.33
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 58508167
3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine
CID 102755416
4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 19432992
3-chloro-N-(2-pyridin-2-ylethyl)aniline
CID 5001899
2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60721568
3-chloro-N-prop-2-enylquinoxalin-2-amine
CID 10775263
bis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone
CID 67101566
2-chloro-3-(2-pyridin-2-ylethylamino)naphthalene-1,4-dione
CID 142721290
5-chloro-2-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60864899
3,5-difluoro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 112675532
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80943258

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine?
The IUPAC name of 3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine (CID 23770473) is 3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine.
What is the SMILES notation for 3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine?
The canonical SMILES for 3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine is Clc1nc2ccccc2nc1NCCc1ccccn1.
What is the InChIKey of 3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine?
The InChIKey is WRDCJNRCJUEPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c16-14-15(18-10-8-11-5-3-4-9-17-11)20-13-7-2-1-6-12(13)19-14/h1-7,9H,8,10H2,(H,18,20).
What are the key properties of 3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine?
3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine has a molecular weight of 284.75 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine is sourced from PubChem (CID 23770473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).