[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-(2-pyridin-3-ylmorpholin-4-yl)methanone

C30H22F2N4O2 — CID 118463945

IUPAC[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-(2-pyridin-3-ylmorpholin-4-yl)methanone
SMILESO=C(c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1)N1CCOC(c2cccnc2)C1
InChIInChI=1S/C30H22F2N4O2/c31-23-8-3-19(4-9-23)28-29(20-5-10-24(32)11-6-20)35-26-16-21(7-12-25(26)34-28)30(37)36-14-15-38-27(18-36)22-2-1-13-33-17-22/h1-13,16-17,27H,14-15,18H2
InChIKeyUOROFHJNOHYOIG-UHFFFAOYSA-N
MW508.53 g/mol
LogP5.85
Rot. Bonds4

About [2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-(2-pyridin-3-ylmorpholin-4-yl)methanone

[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-(2-pyridin-3-ylmorpholin-4-yl)methanone (PubChem CID 118463945) has the molecular formula C30H22F2N4O2 and a molecular weight of 508.53 g/mol. Its IUPAC name is [2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-(2-pyridin-3-ylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-(2-pyridin-3-ylmorpholin-4-yl)methanone
PubChem CID118463945
Molecular FormulaC30H22F2N4O2
Molecular Weight508.53 g/mol
Exact Mass508.17
IUPAC Name[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-(2-pyridin-3-ylmorpholin-4-yl)methanone
SMILESO=C(c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1)N1CCOC(c2cccnc2)C1
InChIInChI=1S/C30H22F2N4O2/c31-23-8-3-19(4-9-23)28-29(20-5-10-24(32)11-6-20)35-26-16-21(7-12-25(26)34-28)30(37)36-14-15-38-27(18-36)22-2-1-13-33-17-22/h1-13,16-17,27H,14-15,18H2
InChIKeyUOROFHJNOHYOIG-UHFFFAOYSA-N
XLogP5.85
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.53
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-(2-pyridin-3-ylmorpholin-4-yl)methanone?
The IUPAC name of [2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-(2-pyridin-3-ylmorpholin-4-yl)methanone (CID 118463945) is [2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-(2-pyridin-3-ylmorpholin-4-yl)methanone.
What is the SMILES notation for [2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-(2-pyridin-3-ylmorpholin-4-yl)methanone?
The canonical SMILES for [2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-(2-pyridin-3-ylmorpholin-4-yl)methanone is O=C(c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1)N1CCOC(c2cccnc2)C1.
What is the InChIKey of [2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-(2-pyridin-3-ylmorpholin-4-yl)methanone?
The InChIKey is UOROFHJNOHYOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F2N4O2/c31-23-8-3-19(4-9-23)28-29(20-5-10-24(32)11-6-20)35-26-16-21(7-12-25(26)34-28)30(37)36-14-15-38-27(18-36)22-2-1-13-33-17-22/h1-13,16-17,27H,14-15,18H2.
What are the key properties of [2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-(2-pyridin-3-ylmorpholin-4-yl)methanone?
[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-(2-pyridin-3-ylmorpholin-4-yl)methanone has a molecular weight of 508.53 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-(2-pyridin-3-ylmorpholin-4-yl)methanone is sourced from PubChem (CID 118463945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).