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

C27H21F3N4O3 — CID 71533216

IUPACN-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H21F3N4O3/c28-27(29,30)20-5-1-4-19(13-20)26(36)32-21-6-2-3-17(14-21)25(35)18-7-8-22-23(15-18)33-24(16-31-22)34-9-11-37-12-10-34/h1-8,13-16H,9-12H2,(H,32,36)
InChIKeyKMTSSEXHKKWEKP-UHFFFAOYSA-N
MW506.48 g/mol
LogP4.97
Rot. Bonds5

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

N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 71533216) has the molecular formula C27H21F3N4O3 and a molecular weight of 506.48 g/mol. Its IUPAC name is N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID71533216
Molecular FormulaC27H21F3N4O3
Molecular Weight506.48 g/mol
Exact Mass506.16
IUPAC NameN-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H21F3N4O3/c28-27(29,30)20-5-1-4-19(13-20)26(36)32-21-6-2-3-17(14-21)25(35)18-7-8-22-23(15-18)33-24(16-31-22)34-9-11-37-12-10-34/h1-8,13-16H,9-12H2,(H,32,36)
InChIKeyKMTSSEXHKKWEKP-UHFFFAOYSA-N
XLogP4.97
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide (CID 71533216) is N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is KMTSSEXHKKWEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N4O3/c28-27(29,30)20-5-1-4-19(13-20)26(36)32-21-6-2-3-17(14-21)25(35)18-7-8-22-23(15-18)33-24(16-31-22)34-9-11-37-12-10-34/h1-8,13-16H,9-12H2,(H,32,36).
What are the key properties of N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide?
N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 506.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 71533216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).