12-[3-(2-fluorophenyl)quinoxalin-2-yl]-12,16,23-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene

C35H20FN5 — CID 139495610

IUPAC12-[3-(2-fluorophenyl)quinoxalin-2-yl]-12,16,23-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
SMILESFc1ccccc1-c1nc2ccccc2nc1-n1c2cc3nc4ccccc4n3cc2c2ccc3ccccc3c21
InChIInChI=1S/C35H20FN5/c36-26-12-4-3-11-24(26)33-35(39-28-14-6-5-13-27(28)38-33)41-31-19-32-37-29-15-7-8-16-30(29)40(32)20-25(31)23-18-17-21-9-1-2-10-22(21)34(23)41/h1-20H
InChIKeyPLWNYBRINYSHIJ-UHFFFAOYSA-N
MW529.58 g/mol
LogP8.49
Rot. Bonds2

About 12-[3-(2-fluorophenyl)quinoxalin-2-yl]-12,16,23-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene

12-[3-(2-fluorophenyl)quinoxalin-2-yl]-12,16,23-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene (PubChem CID 139495610) has the molecular formula C35H20FN5 and a molecular weight of 529.58 g/mol. Its IUPAC name is 12-[3-(2-fluorophenyl)quinoxalin-2-yl]-12,16,23-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene.

Molecular Properties

Compound Name12-[3-(2-fluorophenyl)quinoxalin-2-yl]-12,16,23-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
PubChem CID139495610
Molecular FormulaC35H20FN5
Molecular Weight529.58 g/mol
Exact Mass529.17
IUPAC Name12-[3-(2-fluorophenyl)quinoxalin-2-yl]-12,16,23-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
SMILESFc1ccccc1-c1nc2ccccc2nc1-n1c2cc3nc4ccccc4n3cc2c2ccc3ccccc3c21
InChIInChI=1S/C35H20FN5/c36-26-12-4-3-11-24(26)33-35(39-28-14-6-5-13-27(28)38-33)41-31-19-32-37-29-15-7-8-16-30(29)40(32)20-25(31)23-18-17-21-9-1-2-10-22(21)34(23)41/h1-20H
InChIKeyPLWNYBRINYSHIJ-UHFFFAOYSA-N
XLogP8.49
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.58
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-[3-(2-fluorophenyl)quinoxalin-2-yl]-12,16,23-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[3-(2-fluorophenyl)quinoxalin-2-yl]-12,16,23-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene?
The IUPAC name of 12-[3-(2-fluorophenyl)quinoxalin-2-yl]-12,16,23-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene (CID 139495610) is 12-[3-(2-fluorophenyl)quinoxalin-2-yl]-12,16,23-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene.
What is the SMILES notation for 12-[3-(2-fluorophenyl)quinoxalin-2-yl]-12,16,23-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene?
The canonical SMILES for 12-[3-(2-fluorophenyl)quinoxalin-2-yl]-12,16,23-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene is Fc1ccccc1-c1nc2ccccc2nc1-n1c2cc3nc4ccccc4n3cc2c2ccc3ccccc3c21.
What is the InChIKey of 12-[3-(2-fluorophenyl)quinoxalin-2-yl]-12,16,23-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene?
The InChIKey is PLWNYBRINYSHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20FN5/c36-26-12-4-3-11-24(26)33-35(39-28-14-6-5-13-27(28)38-33)41-31-19-32-37-29-15-7-8-16-30(29)40(32)20-25(31)23-18-17-21-9-1-2-10-22(21)34(23)41/h1-20H.
What are the key properties of 12-[3-(2-fluorophenyl)quinoxalin-2-yl]-12,16,23-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene?
12-[3-(2-fluorophenyl)quinoxalin-2-yl]-12,16,23-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene has a molecular weight of 529.58 g/mol, XLogP of 8.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-(2-fluorophenyl)quinoxalin-2-yl]-12,16,23-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene is sourced from PubChem (CID 139495610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).