3-chloro-2-phenyl-1,8a-dihydroquinoxaline

C14H11ClN2 — CID 134416710

IUPAC3-chloro-2-phenyl-1,8a-dihydroquinoxaline
SMILESClC1=C(c2ccccc2)NC2C=CC=CC2=N1
InChIInChI=1S/C14H11ClN2/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9,11,16H
InChIKeyKWBCYGIVJFPGGH-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.09
Rot. Bonds1

About 3-chloro-2-phenyl-1,8a-dihydroquinoxaline

3-chloro-2-phenyl-1,8a-dihydroquinoxaline (PubChem CID 134416710) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-chloro-2-phenyl-1,8a-dihydroquinoxaline.

Molecular Properties

Compound Name3-chloro-2-phenyl-1,8a-dihydroquinoxaline
PubChem CID134416710
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name3-chloro-2-phenyl-1,8a-dihydroquinoxaline
SMILESClC1=C(c2ccccc2)NC2C=CC=CC2=N1
InChIInChI=1S/C14H11ClN2/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9,11,16H
InChIKeyKWBCYGIVJFPGGH-UHFFFAOYSA-N
XLogP3.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-phenyl-1,8a-dihydroquinoxaline?
The IUPAC name of 3-chloro-2-phenyl-1,8a-dihydroquinoxaline (CID 134416710) is 3-chloro-2-phenyl-1,8a-dihydroquinoxaline.
What is the SMILES notation for 3-chloro-2-phenyl-1,8a-dihydroquinoxaline?
The canonical SMILES for 3-chloro-2-phenyl-1,8a-dihydroquinoxaline is ClC1=C(c2ccccc2)NC2C=CC=CC2=N1.
What is the InChIKey of 3-chloro-2-phenyl-1,8a-dihydroquinoxaline?
The InChIKey is KWBCYGIVJFPGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9,11,16H.
What are the key properties of 3-chloro-2-phenyl-1,8a-dihydroquinoxaline?
3-chloro-2-phenyl-1,8a-dihydroquinoxaline has a molecular weight of 242.71 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-phenyl-1,8a-dihydroquinoxaline is sourced from PubChem (CID 134416710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).