4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one

C13H15N3O2 — CID 80587760

IUPAC4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
SMILESNCC1(C(=O)N2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C13H15N3O2/c14-8-13(5-6-13)12(18)16-7-11(17)15-9-3-1-2-4-10(9)16/h1-4H,5-8,14H2,(H,15,17)
InChIKeyUGOQSQHBTGKLFF-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.71
Rot. Bonds2

About 4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one

4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 80587760) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
PubChem CID80587760
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
SMILESNCC1(C(=O)N2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C13H15N3O2/c14-8-13(5-6-13)12(18)16-7-11(17)15-9-3-1-2-4-10(9)16/h1-4H,5-8,14H2,(H,15,17)
InChIKeyUGOQSQHBTGKLFF-UHFFFAOYSA-N
XLogP0.71
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63127785
4-(3-ethylpyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63138879
4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one
CID 28822275
N-(2-aminoethyl)-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
CID 43316103
4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 30094711
2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate
CID 79345427
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetohydrazide
CID 43164015
4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one
CID 79810105
N-[1-(aminomethyl)cyclopentyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride
CID 119567299
4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one
CID 4749914
4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one
CID 107471092

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one (CID 80587760) is 4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one is NCC1(C(=O)N2CC(=O)Nc3ccccc32)CC1.
What is the InChIKey of 4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is UGOQSQHBTGKLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-8-13(5-6-13)12(18)16-7-11(17)15-9-3-1-2-4-10(9)16/h1-4H,5-8,14H2,(H,15,17).
What are the key properties of 4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one?
4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 245.28 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 80587760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).