7-chloro-5-(1H-pyrrolo[3,2-b]pyridin-6-yl)quinoxaline

C15H9ClN4 — CID 134497776

IUPAC7-chloro-5-(1H-pyrrolo[3,2-b]pyridin-6-yl)quinoxaline
SMILESClc1cc(-c2cnc3cc[nH]c3c2)c2nccnc2c1
InChIInChI=1S/C15H9ClN4/c16-10-6-11(15-14(7-10)18-3-4-19-15)9-5-13-12(20-8-9)1-2-17-13/h1-8,17H
InChIKeyCRZUDXJIFLZPTC-UHFFFAOYSA-N
MW280.72 g/mol
LogP3.83
Rot. Bonds1

About 7-chloro-5-(1H-pyrrolo[3,2-b]pyridin-6-yl)quinoxaline

7-chloro-5-(1H-pyrrolo[3,2-b]pyridin-6-yl)quinoxaline (PubChem CID 134497776) has the molecular formula C15H9ClN4 and a molecular weight of 280.72 g/mol. Its IUPAC name is 7-chloro-5-(1H-pyrrolo[3,2-b]pyridin-6-yl)quinoxaline.

Molecular Properties

Compound Name7-chloro-5-(1H-pyrrolo[3,2-b]pyridin-6-yl)quinoxaline
PubChem CID134497776
Molecular FormulaC15H9ClN4
Molecular Weight280.72 g/mol
Exact Mass280.05
IUPAC Name7-chloro-5-(1H-pyrrolo[3,2-b]pyridin-6-yl)quinoxaline
SMILESClc1cc(-c2cnc3cc[nH]c3c2)c2nccnc2c1
InChIInChI=1S/C15H9ClN4/c16-10-6-11(15-14(7-10)18-3-4-19-15)9-5-13-12(20-8-9)1-2-17-13/h1-8,17H
InChIKeyCRZUDXJIFLZPTC-UHFFFAOYSA-N
XLogP3.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(1H-pyrrolo[3,2-b]pyridin-6-yl)quinoxaline?
The IUPAC name of 7-chloro-5-(1H-pyrrolo[3,2-b]pyridin-6-yl)quinoxaline (CID 134497776) is 7-chloro-5-(1H-pyrrolo[3,2-b]pyridin-6-yl)quinoxaline.
What is the SMILES notation for 7-chloro-5-(1H-pyrrolo[3,2-b]pyridin-6-yl)quinoxaline?
The canonical SMILES for 7-chloro-5-(1H-pyrrolo[3,2-b]pyridin-6-yl)quinoxaline is Clc1cc(-c2cnc3cc[nH]c3c2)c2nccnc2c1.
What is the InChIKey of 7-chloro-5-(1H-pyrrolo[3,2-b]pyridin-6-yl)quinoxaline?
The InChIKey is CRZUDXJIFLZPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4/c16-10-6-11(15-14(7-10)18-3-4-19-15)9-5-13-12(20-8-9)1-2-17-13/h1-8,17H.
What are the key properties of 7-chloro-5-(1H-pyrrolo[3,2-b]pyridin-6-yl)quinoxaline?
7-chloro-5-(1H-pyrrolo[3,2-b]pyridin-6-yl)quinoxaline has a molecular weight of 280.72 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(1H-pyrrolo[3,2-b]pyridin-6-yl)quinoxaline is sourced from PubChem (CID 134497776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).