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

C27H20F4N4O3 — CID 89443320

IUPACN-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H20F4N4O3/c28-21-6-5-19(33-26(37)17-2-1-3-18(12-17)27(29,30)31)14-20(21)25(36)16-4-7-22-23(13-16)34-24(15-32-22)35-8-10-38-11-9-35/h1-7,12-15H,8-11H2,(H,33,37)
InChIKeyRCGUBMYJDMFWIA-UHFFFAOYSA-N
MW524.47 g/mol
LogP5.11
Rot. Bonds5

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

N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 89443320) has the molecular formula C27H20F4N4O3 and a molecular weight of 524.47 g/mol. Its IUPAC name is N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID89443320
Molecular FormulaC27H20F4N4O3
Molecular Weight524.47 g/mol
Exact Mass524.15
IUPAC NameN-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H20F4N4O3/c28-21-6-5-19(33-26(37)17-2-1-3-18(12-17)27(29,30)31)14-20(21)25(36)16-4-7-22-23(13-16)34-24(15-32-22)35-8-10-38-11-9-35/h1-7,12-15H,8-11H2,(H,33,37)
InChIKeyRCGUBMYJDMFWIA-UHFFFAOYSA-N
XLogP5.11
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide (CID 89443320) is N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is RCGUBMYJDMFWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F4N4O3/c28-21-6-5-19(33-26(37)17-2-1-3-18(12-17)27(29,30)31)14-20(21)25(36)16-4-7-22-23(13-16)34-24(15-32-22)35-8-10-38-11-9-35/h1-7,12-15H,8-11H2,(H,33,37).
What are the key properties of N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 524.47 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 89443320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).