4-[8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-N,N,2-trimethylbenzamide

C29H29FN4O2 — CID 59392667

IUPAC4-[8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-N,N,2-trimethylbenzamide
SMILESCc1cc(-c2cnc3cccc(-c4ccc(CN5CCOCC5)c(F)c4)c3n2)ccc1C(=O)N(C)C
InChIInChI=1S/C29H29FN4O2/c1-19-15-21(9-10-23(19)29(35)33(2)3)27-17-31-26-6-4-5-24(28(26)32-27)20-7-8-22(25(30)16-20)18-34-11-13-36-14-12-34/h4-10,15-17H,11-14,18H2,1-3H3
InChIKeyXOSOGMHRJLAEHY-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.95
Rot. Bonds5

About 4-[8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-N,N,2-trimethylbenzamide

4-[8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-N,N,2-trimethylbenzamide (PubChem CID 59392667) has the molecular formula C29H29FN4O2 and a molecular weight of 484.58 g/mol. Its IUPAC name is 4-[8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-N,N,2-trimethylbenzamide.

Molecular Properties

Compound Name4-[8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-N,N,2-trimethylbenzamide
PubChem CID59392667
Molecular FormulaC29H29FN4O2
Molecular Weight484.58 g/mol
Exact Mass484.23
IUPAC Name4-[8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-N,N,2-trimethylbenzamide
SMILESCc1cc(-c2cnc3cccc(-c4ccc(CN5CCOCC5)c(F)c4)c3n2)ccc1C(=O)N(C)C
InChIInChI=1S/C29H29FN4O2/c1-19-15-21(9-10-23(19)29(35)33(2)3)27-17-31-26-6-4-5-24(28(26)32-27)20-7-8-22(25(30)16-20)18-34-11-13-36-14-12-34/h4-10,15-17H,11-14,18H2,1-3H3
InChIKeyXOSOGMHRJLAEHY-UHFFFAOYSA-N
XLogP4.95
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-N,N,2-trimethylbenzamide?
The IUPAC name of 4-[8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-N,N,2-trimethylbenzamide (CID 59392667) is 4-[8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-N,N,2-trimethylbenzamide.
What is the SMILES notation for 4-[8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-N,N,2-trimethylbenzamide?
The canonical SMILES for 4-[8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-N,N,2-trimethylbenzamide is Cc1cc(-c2cnc3cccc(-c4ccc(CN5CCOCC5)c(F)c4)c3n2)ccc1C(=O)N(C)C.
What is the InChIKey of 4-[8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-N,N,2-trimethylbenzamide?
The InChIKey is XOSOGMHRJLAEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O2/c1-19-15-21(9-10-23(19)29(35)33(2)3)27-17-31-26-6-4-5-24(28(26)32-27)20-7-8-22(25(30)16-20)18-34-11-13-36-14-12-34/h4-10,15-17H,11-14,18H2,1-3H3.
What are the key properties of 4-[8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-N,N,2-trimethylbenzamide?
4-[8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-N,N,2-trimethylbenzamide has a molecular weight of 484.58 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-N,N,2-trimethylbenzamide is sourced from PubChem (CID 59392667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).