2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide

C22H23FN4O2 — CID 67035276

IUPAC2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1F
InChIInChI=1S/C22H23FN4O2/c1-14(2)25-22(28)17-5-3-15(11-18(17)23)16-4-6-19-20(12-16)26-21(13-24-19)27-7-9-29-10-8-27/h3-6,11-14H,7-10H2,1-2H3,(H,25,28)
InChIKeyMHESUECTJMSFTF-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.41
Rot. Bonds4

About 2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide

2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide (PubChem CID 67035276) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide
PubChem CID67035276
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1F
InChIInChI=1S/C22H23FN4O2/c1-14(2)25-22(28)17-5-3-15(11-18(17)23)16-4-6-19-20(12-16)26-21(13-24-19)27-7-9-29-10-8-27/h3-6,11-14H,7-10H2,1-2H3,(H,25,28)
InChIKeyMHESUECTJMSFTF-UHFFFAOYSA-N
XLogP3.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide (CID 67035276) is 2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1F.
What is the InChIKey of 2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide?
The InChIKey is MHESUECTJMSFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-14(2)25-22(28)17-5-3-15(11-18(17)23)16-4-6-19-20(12-16)26-21(13-24-19)27-7-9-29-10-8-27/h3-6,11-14H,7-10H2,1-2H3,(H,25,28).
What are the key properties of 2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide?
2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide has a molecular weight of 394.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 67035276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).