2-(7-fluoro-2,3-dihydroquinoxalin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol

C16H16FN3O2 — CID 135626213

IUPAC2-(7-fluoro-2,3-dihydroquinoxalin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1-c1cc3c(cc1F)=NCCN=3)CCCC2
InChIInChI=1S/C16H16FN3O2/c17-11-7-12-13(19-6-5-18-12)8-14(11)20-15(21)9-3-1-2-4-10(9)16(20)22/h7-8,21-22H,1-6H2
InChIKeyLKTMMARARUGQIT-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.16
Rot. Bonds1

About 2-(7-fluoro-2,3-dihydroquinoxalin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol

2-(7-fluoro-2,3-dihydroquinoxalin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol (PubChem CID 135626213) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-(7-fluoro-2,3-dihydroquinoxalin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol.

Molecular Properties

Compound Name2-(7-fluoro-2,3-dihydroquinoxalin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
PubChem CID135626213
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name2-(7-fluoro-2,3-dihydroquinoxalin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1-c1cc3c(cc1F)=NCCN=3)CCCC2
InChIInChI=1S/C16H16FN3O2/c17-11-7-12-13(19-6-5-18-12)8-14(11)20-15(21)9-3-1-2-4-10(9)16(20)22/h7-8,21-22H,1-6H2
InChIKeyLKTMMARARUGQIT-UHFFFAOYSA-N
XLogP1.16
TPSA70.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2,3-dihydroquinoxalin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The IUPAC name of 2-(7-fluoro-2,3-dihydroquinoxalin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol (CID 135626213) is 2-(7-fluoro-2,3-dihydroquinoxalin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol.
What is the SMILES notation for 2-(7-fluoro-2,3-dihydroquinoxalin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The canonical SMILES for 2-(7-fluoro-2,3-dihydroquinoxalin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol is Oc1c2c(c(O)n1-c1cc3c(cc1F)=NCCN=3)CCCC2.
What is the InChIKey of 2-(7-fluoro-2,3-dihydroquinoxalin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The InChIKey is LKTMMARARUGQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-11-7-12-13(19-6-5-18-12)8-14(11)20-15(21)9-3-1-2-4-10(9)16(20)22/h7-8,21-22H,1-6H2.
What are the key properties of 2-(7-fluoro-2,3-dihydroquinoxalin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
2-(7-fluoro-2,3-dihydroquinoxalin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol has a molecular weight of 301.32 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2,3-dihydroquinoxalin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol is sourced from PubChem (CID 135626213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).