4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide

C26H20ClFN4O3 — CID 89445010

IUPAC4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C26H20ClFN4O3/c27-20-6-4-18(13-21(20)28)26(34)30-19-3-1-2-16(12-19)25(33)17-5-7-22-23(14-17)31-24(15-29-22)32-8-10-35-11-9-32/h1-7,12-15H,8-11H2,(H,30,34)
InChIKeyMIZFKWLLRYGJPB-UHFFFAOYSA-N
MW490.92 g/mol
LogP4.74
Rot. Bonds5

About 4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide

4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide (PubChem CID 89445010) has the molecular formula C26H20ClFN4O3 and a molecular weight of 490.92 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide
PubChem CID89445010
Molecular FormulaC26H20ClFN4O3
Molecular Weight490.92 g/mol
Exact Mass490.12
IUPAC Name4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C26H20ClFN4O3/c27-20-6-4-18(13-21(20)28)26(34)30-19-3-1-2-16(12-19)25(33)17-5-7-22-23(14-17)31-24(15-29-22)32-8-10-35-11-9-32/h1-7,12-15H,8-11H2,(H,30,34)
InChIKeyMIZFKWLLRYGJPB-UHFFFAOYSA-N
XLogP4.74
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.92
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443057
N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide
CID 89445006
3-chloro-N-[3,4-difluoro-5-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide
CID 89445214
1-(4-chloro-3-fluorophenyl)-3-[2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea
CID 89443365
1-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 71532895
N-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 174911369
1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90134872
bis(2-morpholin-4-ylquinoxalin-6-yl)methanone
CID 151491691
1-[3,4-difluoro-5-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 71533640
3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443919
(2-chloro-3-hydroxyphenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone
CID 89478019
(2-fluoro-5-hydroxyphenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone
CID 89478345

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide (CID 89445010) is 4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide is O=C(Nc1cccc(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The InChIKey is MIZFKWLLRYGJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN4O3/c27-20-6-4-18(13-21(20)28)26(34)30-19-3-1-2-16(12-19)25(33)17-5-7-22-23(14-17)31-24(15-29-22)32-8-10-35-11-9-32/h1-7,12-15H,8-11H2,(H,30,34).
What are the key properties of 4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide?
4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide has a molecular weight of 490.92 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide is sourced from PubChem (CID 89445010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).