6-[amino-(2-methylcyclopropyl)methyl]-1,4-dihydroquinoxaline-2,3-dione

C13H15N3O2 — CID 43186781

IUPAC6-[amino-(2-methylcyclopropyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCC1CC1C(N)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C13H15N3O2/c1-6-4-8(6)11(14)7-2-3-9-10(5-7)16-13(18)12(17)15-9/h2-3,5-6,8,11H,4,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyFBQXFYSMWCVEAK-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.87
Rot. Bonds2

About 6-[amino-(2-methylcyclopropyl)methyl]-1,4-dihydroquinoxaline-2,3-dione

6-[amino-(2-methylcyclopropyl)methyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 43186781) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-[amino-(2-methylcyclopropyl)methyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[amino-(2-methylcyclopropyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID43186781
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name6-[amino-(2-methylcyclopropyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCC1CC1C(N)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C13H15N3O2/c1-6-4-8(6)11(14)7-2-3-9-10(5-7)16-13(18)12(17)15-9/h2-3,5-6,8,11H,4,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyFBQXFYSMWCVEAK-UHFFFAOYSA-N
XLogP0.87
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-[amino-(2-methylcyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 80500009
6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61088243
2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid
CID 82389538
5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43490686
5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116935370
6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43823405
6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione
CID 62678408
(S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine
CID 93262194
(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methanamine
CID 99724266
(2-methylcyclopropyl)-(6-methyl-3-pyridinyl)methanamine
CID 65422768
6-(2-methylcyclopropanecarbonyl)-1,4-dihydroquinoxaline-2,3-dione
CID 43338748
(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methanamine
CID 43379643

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(2-methylcyclopropyl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[amino-(2-methylcyclopropyl)methyl]-1,4-dihydroquinoxaline-2,3-dione (CID 43186781) is 6-[amino-(2-methylcyclopropyl)methyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[amino-(2-methylcyclopropyl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[amino-(2-methylcyclopropyl)methyl]-1,4-dihydroquinoxaline-2,3-dione is CC1CC1C(N)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 6-[amino-(2-methylcyclopropyl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is FBQXFYSMWCVEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-6-4-8(6)11(14)7-2-3-9-10(5-7)16-13(18)12(17)15-9/h2-3,5-6,8,11H,4,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 6-[amino-(2-methylcyclopropyl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[amino-(2-methylcyclopropyl)methyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 245.28 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(2-methylcyclopropyl)methyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 43186781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).