N-[6-amino-1-(3-fluorophenyl)-6-oxohexan-2-yl]quinoxaline-2-carboxamide;2-methylbutan-2-ol

C26H33FN4O3 — CID 143143492

IUPACN-[6-amino-1-(3-fluorophenyl)-6-oxohexan-2-yl]quinoxaline-2-carboxamide;2-methylbutan-2-ol
SMILESCCC(C)(C)O.NC(=O)CCCC(Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C21H21FN4O2.C5H12O/c22-15-6-3-5-14(11-15)12-16(7-4-10-20(23)27)25-21(28)19-13-24-17-8-1-2-9-18(17)26-19;1-4-5(2,3)6/h1-3,5-6,8-9,11,13,16H,4,7,10,12H2,(H2,23,27)(H,25,28);6H,4H2,1-3H3
InChIKeyKARROBXATVOWCK-UHFFFAOYSA-N
MW468.57 g/mol
LogP3.93
Rot. Bonds9

About N-[6-amino-1-(3-fluorophenyl)-6-oxohexan-2-yl]quinoxaline-2-carboxamide;2-methylbutan-2-ol

N-[6-amino-1-(3-fluorophenyl)-6-oxohexan-2-yl]quinoxaline-2-carboxamide;2-methylbutan-2-ol (PubChem CID 143143492) has the molecular formula C26H33FN4O3 and a molecular weight of 468.57 g/mol. Its IUPAC name is N-[6-amino-1-(3-fluorophenyl)-6-oxohexan-2-yl]quinoxaline-2-carboxamide;2-methylbutan-2-ol.

Molecular Properties

Compound NameN-[6-amino-1-(3-fluorophenyl)-6-oxohexan-2-yl]quinoxaline-2-carboxamide;2-methylbutan-2-ol
PubChem CID143143492
Molecular FormulaC26H33FN4O3
Molecular Weight468.57 g/mol
Exact Mass468.25
IUPAC NameN-[6-amino-1-(3-fluorophenyl)-6-oxohexan-2-yl]quinoxaline-2-carboxamide;2-methylbutan-2-ol
SMILESCCC(C)(C)O.NC(=O)CCCC(Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C21H21FN4O2.C5H12O/c22-15-6-3-5-14(11-15)12-16(7-4-10-20(23)27)25-21(28)19-13-24-17-8-1-2-9-18(17)26-19;1-4-5(2,3)6/h1-3,5-6,8-9,11,13,16H,4,7,10,12H2,(H2,23,27)(H,25,28);6H,4H2,1-3H3
InChIKeyKARROBXATVOWCK-UHFFFAOYSA-N
XLogP3.93
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[6-amino-1-(3-fluorophenyl)-6-oxohexan-2-yl]quinoxaline-2-carboxamide;2-methylbutan-2-ol with MolForge

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Related Compounds

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
[(1S,2S)-1-[(3R)-3-carbamoyl-6-hydroxy-6-methylheptoxy]carbonyloxy-3-(3-fluorophenyl)-2-(quinoxaline-2-carbonylamino)propyl] 2-aminoacetate
CID 90933357
N-[5-carbamoyl-1-(3-fluorophenyl)-3,8-dihydroxy-2-methylnonan-2-yl]quinoxaline-2-carboxamide
CID 91491512
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
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
2-(3-fluorophenyl)-1-quinoxalin-2-ylethanol
CID 107357548
N-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-naphthalen-2-ylnonan-2-yl]quinoxaline-2-carboxamide
CID 56996151
N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide
CID 61246505
N-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide
CID 57217920
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide
CID 107356568
(2S)-4-amino-4-oxo-2-(quinoxaline-2-carbonylamino)butanoic acid
CID 15308528

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(3-fluorophenyl)-6-oxohexan-2-yl]quinoxaline-2-carboxamide;2-methylbutan-2-ol?
The IUPAC name of N-[6-amino-1-(3-fluorophenyl)-6-oxohexan-2-yl]quinoxaline-2-carboxamide;2-methylbutan-2-ol (CID 143143492) is N-[6-amino-1-(3-fluorophenyl)-6-oxohexan-2-yl]quinoxaline-2-carboxamide;2-methylbutan-2-ol.
What is the SMILES notation for N-[6-amino-1-(3-fluorophenyl)-6-oxohexan-2-yl]quinoxaline-2-carboxamide;2-methylbutan-2-ol?
The canonical SMILES for N-[6-amino-1-(3-fluorophenyl)-6-oxohexan-2-yl]quinoxaline-2-carboxamide;2-methylbutan-2-ol is CCC(C)(C)O.NC(=O)CCCC(Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-[6-amino-1-(3-fluorophenyl)-6-oxohexan-2-yl]quinoxaline-2-carboxamide;2-methylbutan-2-ol?
The InChIKey is KARROBXATVOWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2.C5H12O/c22-15-6-3-5-14(11-15)12-16(7-4-10-20(23)27)25-21(28)19-13-24-17-8-1-2-9-18(17)26-19;1-4-5(2,3)6/h1-3,5-6,8-9,11,13,16H,4,7,10,12H2,(H2,23,27)(H,25,28);6H,4H2,1-3H3.
What are the key properties of N-[6-amino-1-(3-fluorophenyl)-6-oxohexan-2-yl]quinoxaline-2-carboxamide;2-methylbutan-2-ol?
N-[6-amino-1-(3-fluorophenyl)-6-oxohexan-2-yl]quinoxaline-2-carboxamide;2-methylbutan-2-ol has a molecular weight of 468.57 g/mol, XLogP of 3.93, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(3-fluorophenyl)-6-oxohexan-2-yl]quinoxaline-2-carboxamide;2-methylbutan-2-ol is sourced from PubChem (CID 143143492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).