N-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide

C27H30F4N4O4 — CID 57217920

IUPACN-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide
SMILESCC(C)(F)CCC(CC(O)C(Cc1cccc(OC(F)(F)F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O
InChIInChI=1S/C27H30F4N4O4/c1-26(2,28)11-10-17(24(32)37)14-23(36)21(13-16-6-5-7-18(12-16)39-27(29,30)31)35-25(38)22-15-33-19-8-3-4-9-20(19)34-22/h3-9,12,15,17,21,23,36H,10-11,13-14H2,1-2H3,(H2,32,37)(H,35,38)
InChIKeyOPLZIGWFABXJAP-UHFFFAOYSA-N
MW550.55 g/mol
LogP4.25
Rot. Bonds12

About N-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide

N-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide (PubChem CID 57217920) has the molecular formula C27H30F4N4O4 and a molecular weight of 550.55 g/mol. Its IUPAC name is N-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide
PubChem CID57217920
Molecular FormulaC27H30F4N4O4
Molecular Weight550.55 g/mol
Exact Mass550.22
IUPAC NameN-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide
SMILESCC(C)(F)CCC(CC(O)C(Cc1cccc(OC(F)(F)F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O
InChIInChI=1S/C27H30F4N4O4/c1-26(2,28)11-10-17(24(32)37)14-23(36)21(13-16-6-5-7-18(12-16)39-27(29,30)31)35-25(38)22-15-33-19-8-3-4-9-20(19)34-22/h3-9,12,15,17,21,23,36H,10-11,13-14H2,1-2H3,(H2,32,37)(H,35,38)
InChIKeyOPLZIGWFABXJAP-UHFFFAOYSA-N
XLogP4.25
TPSA127.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.55
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-naphthalen-2-ylnonan-2-yl]quinoxaline-2-carboxamide
CID 56996151
N-[3-hydroxy-6-(hydroxyamino)-5-(4-hydroxy-2,6-dimethyloxan-4-yl)-6-oxo-1-[3-(trifluoromethoxy)phenyl]hexan-2-yl]quinoxaline-2-carboxamide
CID 54510938
N-[(2S,3S,5R)-6-amino-3-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide
CID 57012011
N-[(2S,3S,5R)-8-fluoro-1-(3-fluorophenyl)-3-hydroxy-5-(1H-imidazol-2-yl)-8-methylnonan-2-yl]quinoxaline-2-carboxamide
CID 10164373
bis[(2S,3R,5R)-5-carbamoyl-1-(3-fluorophenyl)-8-hydroxy-8-methyl-2-(quinoxaline-2-carbonylamino)nonan-3-yl] sulfate
CID 87964340
bis[(2S,3R,5R)-5-carbamoyl-1-(3-fluorophenyl)-8-hydroxy-8-methyl-2-(quinoxaline-2-carbonylamino)nonan-3-yl] but-2-enedioate
CID 173204205
N-[5-[(acetylhydrazinylidene)methyl]-8-fluoro-3-hydroxy-8-methyl-1-phenylnonan-2-yl]quinoxaline-2-carboxamide
CID 90937784
N-[(2S,3S,5S)-5-carbamoyl-3-hydroxy-1-phenyl-6-propylnonan-2-yl]quinoxaline-2-carboxamide
CID 57100835
N-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 21345642
[(1S,2S)-1-[(3R)-3-carbamoyl-6-hydroxy-6-methylheptoxy]carbonyloxy-3-(3-fluorophenyl)-2-(quinoxaline-2-carbonylamino)propyl] 2-aminoacetate
CID 90933357
N-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide
CID 57143878
N-[(1S,2S,4R)-1-(5-chloro-1H-imidazol-2-yl)-7-fluoro-4-[(3-fluorophenyl)methyl]-2-hydroxy-7-methyloctyl]quinoxaline-2-carboxamide
CID 91031868

Frequently Asked Questions

What is the IUPAC name of N-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide (CID 57217920) is N-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide is CC(C)(F)CCC(CC(O)C(Cc1cccc(OC(F)(F)F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O.
What is the InChIKey of N-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide?
The InChIKey is OPLZIGWFABXJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F4N4O4/c1-26(2,28)11-10-17(24(32)37)14-23(36)21(13-16-6-5-7-18(12-16)39-27(29,30)31)35-25(38)22-15-33-19-8-3-4-9-20(19)34-22/h3-9,12,15,17,21,23,36H,10-11,13-14H2,1-2H3,(H2,32,37)(H,35,38).
What are the key properties of N-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide?
N-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide has a molecular weight of 550.55 g/mol, XLogP of 4.25, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 57217920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).