4-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-dihydroquinoxalin-2-one

C17H21N5O3 — CID 120867411

IUPAC4-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCNC(C)Cc1noc(CCC(=O)N2CC(=O)Nc3ccccc32)n1
InChIInChI=1S/C17H21N5O3/c1-11(18-2)9-14-20-16(25-21-14)7-8-17(24)22-10-15(23)19-12-5-3-4-6-13(12)22/h3-6,11,18H,7-10H2,1-2H3,(H,19,23)
InChIKeyHASJHNMGXXBIQH-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.14
Rot. Bonds6

About 4-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-dihydroquinoxalin-2-one

4-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 120867411) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID120867411
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name4-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCNC(C)Cc1noc(CCC(=O)N2CC(=O)Nc3ccccc32)n1
InChIInChI=1S/C17H21N5O3/c1-11(18-2)9-14-20-16(25-21-14)7-8-17(24)22-10-15(23)19-12-5-3-4-6-13(12)22/h3-6,11,18H,7-10H2,1-2H3,(H,19,23)
InChIKeyHASJHNMGXXBIQH-UHFFFAOYSA-N
XLogP1.14
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453973
4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453577
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide
CID 55798485
N-[2-(methylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 119502929
4-[(2R)-2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 124616880
4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 51280680
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 8834200
2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide
CID 163261629
ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane
CID 163261655
4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8919402
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
CID 119519616

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-dihydroquinoxalin-2-one (CID 120867411) is 4-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-dihydroquinoxalin-2-one is CNC(C)Cc1noc(CCC(=O)N2CC(=O)Nc3ccccc32)n1.
What is the InChIKey of 4-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is HASJHNMGXXBIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11(18-2)9-14-20-16(25-21-14)7-8-17(24)22-10-15(23)19-12-5-3-4-6-13(12)22/h3-6,11,18H,7-10H2,1-2H3,(H,19,23).
What are the key properties of 4-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 343.39 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 120867411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).