3-amino-N-[(3-fluoro-5-methylphenyl)methyl]quinoxaline-2-carboxamide;N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide

C35H29FN10O3 — CID 123977670

IUPAC3-amino-N-[(3-fluoro-5-methylphenyl)methyl]quinoxaline-2-carboxamide;N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1nnc(-c2nc3ccccc3nc2N)o1.Cc1cc(F)cc(CNC(=O)c2nc3ccccc3nc2N)c1
InChIInChI=1S/C18H14N6O2.C17H15FN4O/c1-10(25)20-12-7-3-2-6-11(12)17-23-24-18(26-17)15-16(19)22-14-9-5-4-8-13(14)21-15;1-10-6-11(8-12(18)7-10)9-20-17(23)15-16(19)22-14-5-3-2-4-13(14)21-15/h2-9H,1H3,(H2,19,22)(H,20,25);2-8H,9H2,1H3,(H2,19,22)(H,20,23)
InChIKeySDYYPNOXMFVILD-UHFFFAOYSA-N
MW656.68 g/mol
LogP5.48
Rot. Bonds6

About 3-amino-N-[(3-fluoro-5-methylphenyl)methyl]quinoxaline-2-carboxamide;N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide

3-amino-N-[(3-fluoro-5-methylphenyl)methyl]quinoxaline-2-carboxamide;N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide (PubChem CID 123977670) has the molecular formula C35H29FN10O3 and a molecular weight of 656.68 g/mol. Its IUPAC name is 3-amino-N-[(3-fluoro-5-methylphenyl)methyl]quinoxaline-2-carboxamide;N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name3-amino-N-[(3-fluoro-5-methylphenyl)methyl]quinoxaline-2-carboxamide;N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
PubChem CID123977670
Molecular FormulaC35H29FN10O3
Molecular Weight656.68 g/mol
Exact Mass656.24
IUPAC Name3-amino-N-[(3-fluoro-5-methylphenyl)methyl]quinoxaline-2-carboxamide;N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1nnc(-c2nc3ccccc3nc2N)o1.Cc1cc(F)cc(CNC(=O)c2nc3ccccc3nc2N)c1
InChIInChI=1S/C18H14N6O2.C17H15FN4O/c1-10(25)20-12-7-3-2-6-11(12)17-23-24-18(26-17)15-16(19)22-14-9-5-4-8-13(14)21-15;1-10-6-11(8-12(18)7-10)9-20-17(23)15-16(19)22-14-5-3-2-4-13(14)21-15/h2-9H,1H3,(H2,19,22)(H,20,25);2-8H,9H2,1H3,(H2,19,22)(H,20,23)
InChIKeySDYYPNOXMFVILD-UHFFFAOYSA-N
XLogP5.48
TPSA200.72 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500656.68
LogP ≤ 55.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 3-amino-N-[(3-fluoro-5-methylphenyl)methyl]quinoxaline-2-carboxamide;N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide with MolForge

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Related Compounds

[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 59471699
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone
CID 59472331
[5-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-(1,4-diazepan-1-yl)methanone
CID 59471769
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-ethylpiperazin-1-yl)methanone
CID 59471772
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
CID 59471783
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone
CID 59471871
3-(5-Phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-6-ylpyrazin-2-amine
CID 59472048
N-(2-(5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)phenyl)ethanamide
CID 59472217
US9670212, 29 N-{3-[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]-8-methylquinolin-2-yl}-N,N''-dimethylethane-1,2-diamine
CID 66802308
US11390631, Example 322
CID 134461603
2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(3-methylphenyl)methyl]quinazolin-4-amine
CID 53012983
3-(5-Phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-8-ylpyrazin-2-amine
CID 59472113

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-fluoro-5-methylphenyl)methyl]quinoxaline-2-carboxamide;N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The IUPAC name of 3-amino-N-[(3-fluoro-5-methylphenyl)methyl]quinoxaline-2-carboxamide;N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide (CID 123977670) is 3-amino-N-[(3-fluoro-5-methylphenyl)methyl]quinoxaline-2-carboxamide;N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide.
What is the SMILES notation for 3-amino-N-[(3-fluoro-5-methylphenyl)methyl]quinoxaline-2-carboxamide;N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The canonical SMILES for 3-amino-N-[(3-fluoro-5-methylphenyl)methyl]quinoxaline-2-carboxamide;N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1nnc(-c2nc3ccccc3nc2N)o1.Cc1cc(F)cc(CNC(=O)c2nc3ccccc3nc2N)c1.
What is the InChIKey of 3-amino-N-[(3-fluoro-5-methylphenyl)methyl]quinoxaline-2-carboxamide;N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The InChIKey is SDYYPNOXMFVILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2.C17H15FN4O/c1-10(25)20-12-7-3-2-6-11(12)17-23-24-18(26-17)15-16(19)22-14-9-5-4-8-13(14)21-15;1-10-6-11(8-12(18)7-10)9-20-17(23)15-16(19)22-14-5-3-2-4-13(14)21-15/h2-9H,1H3,(H2,19,22)(H,20,25);2-8H,9H2,1H3,(H2,19,22)(H,20,23).
What are the key properties of 3-amino-N-[(3-fluoro-5-methylphenyl)methyl]quinoxaline-2-carboxamide;N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
3-amino-N-[(3-fluoro-5-methylphenyl)methyl]quinoxaline-2-carboxamide;N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide has a molecular weight of 656.68 g/mol, XLogP of 5.48, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-fluoro-5-methylphenyl)methyl]quinoxaline-2-carboxamide;N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 123977670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).