(9-fluoroindolo[3,2-b]quinoxalin-6-yl)-thiophen-2-ylmethanone

C19H10FN3OS — CID 2728384

IUPAC(9-fluoroindolo[3,2-b]quinoxalin-6-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)n1c2ccc(F)cc2c2nc3ccccc3nc21
InChIInChI=1S/C19H10FN3OS/c20-11-7-8-15-12(10-11)17-18(22-14-5-2-1-4-13(14)21-17)23(15)19(24)16-6-3-9-25-16/h1-10H
InChIKeyDBYYEJLQEKMXSU-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.63
Rot. Bonds1

About (9-fluoroindolo[3,2-b]quinoxalin-6-yl)-thiophen-2-ylmethanone

(9-fluoroindolo[3,2-b]quinoxalin-6-yl)-thiophen-2-ylmethanone (PubChem CID 2728384) has the molecular formula C19H10FN3OS and a molecular weight of 347.37 g/mol. Its IUPAC name is (9-fluoroindolo[3,2-b]quinoxalin-6-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(9-fluoroindolo[3,2-b]quinoxalin-6-yl)-thiophen-2-ylmethanone
PubChem CID2728384
Molecular FormulaC19H10FN3OS
Molecular Weight347.37 g/mol
Exact Mass347.05
IUPAC Name(9-fluoroindolo[3,2-b]quinoxalin-6-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)n1c2ccc(F)cc2c2nc3ccccc3nc21
InChIInChI=1S/C19H10FN3OS/c20-11-7-8-15-12(10-11)17-18(22-14-5-2-1-4-13(14)21-17)23(15)19(24)16-6-3-9-25-16/h1-10H
InChIKeyDBYYEJLQEKMXSU-UHFFFAOYSA-N
XLogP4.63
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (9-fluoroindolo[3,2-b]quinoxalin-6-yl)-thiophen-2-ylmethanone?
The IUPAC name of (9-fluoroindolo[3,2-b]quinoxalin-6-yl)-thiophen-2-ylmethanone (CID 2728384) is (9-fluoroindolo[3,2-b]quinoxalin-6-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (9-fluoroindolo[3,2-b]quinoxalin-6-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (9-fluoroindolo[3,2-b]quinoxalin-6-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)n1c2ccc(F)cc2c2nc3ccccc3nc21.
What is the InChIKey of (9-fluoroindolo[3,2-b]quinoxalin-6-yl)-thiophen-2-ylmethanone?
The InChIKey is DBYYEJLQEKMXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10FN3OS/c20-11-7-8-15-12(10-11)17-18(22-14-5-2-1-4-13(14)21-17)23(15)19(24)16-6-3-9-25-16/h1-10H.
What are the key properties of (9-fluoroindolo[3,2-b]quinoxalin-6-yl)-thiophen-2-ylmethanone?
(9-fluoroindolo[3,2-b]quinoxalin-6-yl)-thiophen-2-ylmethanone has a molecular weight of 347.37 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-fluoroindolo[3,2-b]quinoxalin-6-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 2728384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).