4-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide

C26H19F3N4O3 — CID 174910710

IUPAC4-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(-c2cc(F)c(F)c(C(=O)c3ccc4nc(C5CNCCO5)cnc4c3)c2)c(F)c1
InChIInChI=1S/C26H19F3N4O3/c27-18-8-14(26(30)35)1-3-16(18)15-7-17(24(29)19(28)9-15)25(34)13-2-4-20-21(10-13)32-11-22(33-20)23-12-31-5-6-36-23/h1-4,7-11,23,31H,5-6,12H2,(H2,30,35)
InChIKeyUTXWDEHVEHLCAN-UHFFFAOYSA-N
MW492.46 g/mol
LogP3.70
Rot. Bonds5

About 4-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide

4-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide (PubChem CID 174910710) has the molecular formula C26H19F3N4O3 and a molecular weight of 492.46 g/mol. Its IUPAC name is 4-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide
PubChem CID174910710
Molecular FormulaC26H19F3N4O3
Molecular Weight492.46 g/mol
Exact Mass492.14
IUPAC Name4-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(-c2cc(F)c(F)c(C(=O)c3ccc4nc(C5CNCCO5)cnc4c3)c2)c(F)c1
InChIInChI=1S/C26H19F3N4O3/c27-18-8-14(26(30)35)1-3-16(18)15-7-17(24(29)19(28)9-15)25(34)13-2-4-20-21(10-13)32-11-22(33-20)23-12-31-5-6-36-23/h1-4,7-11,23,31H,5-6,12H2,(H2,30,35)
InChIKeyUTXWDEHVEHLCAN-UHFFFAOYSA-N
XLogP3.70
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(trifluoromethyl)-4-[2,4,5-trifluoro-3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 174911328
3,4-bis[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 174735339
1-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-(3,5-difluorophenyl)urea
CID 174911336
1-(3-chlorophenyl)-3-[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]urea
CID 174735084
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]urea
CID 175320424
3-[6-[(2R)-morpholin-2-yl]-2-pyridinyl]benzamide
CID 124977411
2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine
CID 116881036
N-[2,4,5-trifluoro-3-[3-[3-(hydroxymethyl)morpholin-2-yl]quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
CID 174843875
methyl 3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxylate
CID 175133064
4-(3H-benzimidazol-5-yl)-3-fluorobenzamide
CID 175532985
4-methyl-N-(6-morpholin-2-yl-3-pyridinyl)benzamide
CID 123703173
4-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide
CID 144953548

Frequently Asked Questions

What is the IUPAC name of 4-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide?
The IUPAC name of 4-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide (CID 174910710) is 4-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide?
The canonical SMILES for 4-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide is NC(=O)c1ccc(-c2cc(F)c(F)c(C(=O)c3ccc4nc(C5CNCCO5)cnc4c3)c2)c(F)c1.
What is the InChIKey of 4-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide?
The InChIKey is UTXWDEHVEHLCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N4O3/c27-18-8-14(26(30)35)1-3-16(18)15-7-17(24(29)19(28)9-15)25(34)13-2-4-20-21(10-13)32-11-22(33-20)23-12-31-5-6-36-23/h1-4,7-11,23,31H,5-6,12H2,(H2,30,35).
What are the key properties of 4-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide?
4-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide has a molecular weight of 492.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-difluoro-5-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide is sourced from PubChem (CID 174910710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).