2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide

C25H27FN4O3 — CID 86281710

IUPAC2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide
SMILESO=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ccccc1F
InChIInChI=1S/C25H27FN4O3/c26-21-4-2-1-3-20(21)25(31)29-17-5-7-19(8-6-17)33-23-16-18(30-11-13-32-14-12-30)15-22-24(23)28-10-9-27-22/h1-4,9-10,15-17,19H,5-8,11-14H2,(H,29,31)
InChIKeyRCZWIQIOVLHNKT-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.73
Rot. Bonds5

About 2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide

2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide (PubChem CID 86281710) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is 2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide
PubChem CID86281710
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC Name2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide
SMILESO=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ccccc1F
InChIInChI=1S/C25H27FN4O3/c26-21-4-2-1-3-20(21)25(31)29-17-5-7-19(8-6-17)33-23-16-18(30-11-13-32-14-12-30)15-22-24(23)28-10-9-27-22/h1-4,9-10,15-17,19H,5-8,11-14H2,(H,29,31)
InChIKeyRCZWIQIOVLHNKT-UHFFFAOYSA-N
XLogP3.73
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide (CID 86281710) is 2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide is O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide?
The InChIKey is RCZWIQIOVLHNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c26-21-4-2-1-3-20(21)25(31)29-17-5-7-19(8-6-17)33-23-16-18(30-11-13-32-14-12-30)15-22-24(23)28-10-9-27-22/h1-4,9-10,15-17,19H,5-8,11-14H2,(H,29,31).
What are the key properties of 2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide?
2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide has a molecular weight of 450.51 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide is sourced from PubChem (CID 86281710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).