N-[5-methyl-2-(pentanoylamino)phenyl]quinoxaline-5-carboxamide

C21H22N4O2 — CID 50959610

IUPACN-[5-methyl-2-(pentanoylamino)phenyl]quinoxaline-5-carboxamide
SMILESCCCCC(=O)Nc1ccc(C)cc1NC(=O)c1cccc2nccnc12
InChIInChI=1S/C21H22N4O2/c1-3-4-8-19(26)24-16-10-9-14(2)13-18(16)25-21(27)15-6-5-7-17-20(15)23-12-11-22-17/h5-7,9-13H,3-4,8H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyDESMJGZRXZGKJN-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.32
Rot. Bonds6

About N-[5-methyl-2-(pentanoylamino)phenyl]quinoxaline-5-carboxamide

N-[5-methyl-2-(pentanoylamino)phenyl]quinoxaline-5-carboxamide (PubChem CID 50959610) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[5-methyl-2-(pentanoylamino)phenyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-(pentanoylamino)phenyl]quinoxaline-5-carboxamide
PubChem CID50959610
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[5-methyl-2-(pentanoylamino)phenyl]quinoxaline-5-carboxamide
SMILESCCCCC(=O)Nc1ccc(C)cc1NC(=O)c1cccc2nccnc12
InChIInChI=1S/C21H22N4O2/c1-3-4-8-19(26)24-16-10-9-14(2)13-18(16)25-21(27)15-6-5-7-17-20(15)23-12-11-22-17/h5-7,9-13H,3-4,8H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyDESMJGZRXZGKJN-UHFFFAOYSA-N
XLogP4.32
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide
CID 136756008
N-(2-methoxy-5-methylphenyl)quinoxaline-5-carboxamide
CID 110701438
N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide
CID 82034599
N-[5-methyl-2-(pentanoylamino)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 50982993
N-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide
CID 104577636
N-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide
CID 136773882
N-(2-methyl-4-pyridinyl)quinoxaline-5-carboxamide
CID 110701472
N-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide
CID 104614021
N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide
CID 134698300
N-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide
CID 104578289
N-[4-methyl-2-[1-(2-methylphenyl)ethenyl]phenyl]pentanamide
CID 170792159
2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone
CID 105081662

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(pentanoylamino)phenyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[5-methyl-2-(pentanoylamino)phenyl]quinoxaline-5-carboxamide (CID 50959610) is N-[5-methyl-2-(pentanoylamino)phenyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[5-methyl-2-(pentanoylamino)phenyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[5-methyl-2-(pentanoylamino)phenyl]quinoxaline-5-carboxamide is CCCCC(=O)Nc1ccc(C)cc1NC(=O)c1cccc2nccnc12.
What is the InChIKey of N-[5-methyl-2-(pentanoylamino)phenyl]quinoxaline-5-carboxamide?
The InChIKey is DESMJGZRXZGKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-4-8-19(26)24-16-10-9-14(2)13-18(16)25-21(27)15-6-5-7-17-20(15)23-12-11-22-17/h5-7,9-13H,3-4,8H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[5-methyl-2-(pentanoylamino)phenyl]quinoxaline-5-carboxamide?
N-[5-methyl-2-(pentanoylamino)phenyl]quinoxaline-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(pentanoylamino)phenyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 50959610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).