7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one

C10H11N3O — CID 177146036

IUPAC7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one
SMILESCc1nc2ccc(CN)cc2[nH]c1=O
InChIInChI=1S/C10H11N3O/c1-6-10(14)13-9-4-7(5-11)2-3-8(9)12-6/h2-4H,5,11H2,1H3,(H,13,14)
InChIKeyHJDWRFNSNLTLEW-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.69
Rot. Bonds1

About 7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one

7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one (PubChem CID 177146036) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one
PubChem CID177146036
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one
SMILESCc1nc2ccc(CN)cc2[nH]c1=O
InChIInChI=1S/C10H11N3O/c1-6-10(14)13-9-4-7(5-11)2-3-8(9)12-6/h2-4H,5,11H2,1H3,(H,13,14)
InChIKeyHJDWRFNSNLTLEW-UHFFFAOYSA-N
XLogP0.69
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one?
The IUPAC name of 7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one (CID 177146036) is 7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one.
What is the SMILES notation for 7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one?
The canonical SMILES for 7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one is Cc1nc2ccc(CN)cc2[nH]c1=O.
What is the InChIKey of 7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one?
The InChIKey is HJDWRFNSNLTLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-6-10(14)13-9-4-7(5-11)2-3-8(9)12-6/h2-4H,5,11H2,1H3,(H,13,14).
What are the key properties of 7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one?
7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one has a molecular weight of 189.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one is sourced from PubChem (CID 177146036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).