1-(2-amino-2-cyclopropylethyl)-3-methylquinoxalin-2-one

C14H17N3O — CID 63915051

IUPAC1-(2-amino-2-cyclopropylethyl)-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(CC(N)C2CC2)c1=O
InChIInChI=1S/C14H17N3O/c1-9-14(18)17(8-11(15)10-6-7-10)13-5-3-2-4-12(13)16-9/h2-5,10-11H,6-8,15H2,1H3
InChIKeyBPDSZTZFZOVIDJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.44
Rot. Bonds3

About 1-(2-amino-2-cyclopropylethyl)-3-methylquinoxalin-2-one

1-(2-amino-2-cyclopropylethyl)-3-methylquinoxalin-2-one (PubChem CID 63915051) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(2-amino-2-cyclopropylethyl)-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-(2-amino-2-cyclopropylethyl)-3-methylquinoxalin-2-one
PubChem CID63915051
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(2-amino-2-cyclopropylethyl)-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(CC(N)C2CC2)c1=O
InChIInChI=1S/C14H17N3O/c1-9-14(18)17(8-11(15)10-6-7-10)13-5-3-2-4-12(13)16-9/h2-5,10-11H,6-8,15H2,1H3
InChIKeyBPDSZTZFZOVIDJ-UHFFFAOYSA-N
XLogP1.44
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-cyclopropylethyl)-3-methylquinoxalin-2-one?
The IUPAC name of 1-(2-amino-2-cyclopropylethyl)-3-methylquinoxalin-2-one (CID 63915051) is 1-(2-amino-2-cyclopropylethyl)-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-(2-amino-2-cyclopropylethyl)-3-methylquinoxalin-2-one?
The canonical SMILES for 1-(2-amino-2-cyclopropylethyl)-3-methylquinoxalin-2-one is Cc1nc2ccccc2n(CC(N)C2CC2)c1=O.
What is the InChIKey of 1-(2-amino-2-cyclopropylethyl)-3-methylquinoxalin-2-one?
The InChIKey is BPDSZTZFZOVIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-14(18)17(8-11(15)10-6-7-10)13-5-3-2-4-12(13)16-9/h2-5,10-11H,6-8,15H2,1H3.
What are the key properties of 1-(2-amino-2-cyclopropylethyl)-3-methylquinoxalin-2-one?
1-(2-amino-2-cyclopropylethyl)-3-methylquinoxalin-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-cyclopropylethyl)-3-methylquinoxalin-2-one is sourced from PubChem (CID 63915051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).