3-(aminomethyl)-4,5-dimethyl-1,3-dihydroquinoxalin-2-one

C11H15N3O — CID 84620565

IUPAC3-(aminomethyl)-4,5-dimethyl-1,3-dihydroquinoxalin-2-one
SMILESCc1cccc2c1N(C)C(CN)C(=O)N2
InChIInChI=1S/C11H15N3O/c1-7-4-3-5-8-10(7)14(2)9(6-12)11(15)13-8/h3-5,9H,6,12H2,1-2H3,(H,13,15)
InChIKeyNTCIQZUETFDPTI-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.71
Rot. Bonds1

About 3-(aminomethyl)-4,5-dimethyl-1,3-dihydroquinoxalin-2-one

3-(aminomethyl)-4,5-dimethyl-1,3-dihydroquinoxalin-2-one (PubChem CID 84620565) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(aminomethyl)-4,5-dimethyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-4,5-dimethyl-1,3-dihydroquinoxalin-2-one
PubChem CID84620565
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-(aminomethyl)-4,5-dimethyl-1,3-dihydroquinoxalin-2-one
SMILESCc1cccc2c1N(C)C(CN)C(=O)N2
InChIInChI=1S/C11H15N3O/c1-7-4-3-5-8-10(7)14(2)9(6-12)11(15)13-8/h3-5,9H,6,12H2,1-2H3,(H,13,15)
InChIKeyNTCIQZUETFDPTI-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-5-bromo-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84643367
3-(2-aminoethyl)-4,5,7-trimethyl-1,3-dihydroquinoxalin-2-one
CID 84627553
3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84624971
3-(aminomethyl)-8-tert-butyl-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84632906
9,10-dimethyl-5H-phenazin-1-ol
CID 141446467
1,7-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione
CID 170859544
10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one
CID 82909395
5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 84627467
1-methyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;propane
CID 143528648
4-cyclopropyl-5-methyl-1,3-dihydroquinoxalin-2-one
CID 115554224
3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one
CID 102894958
(1,7-dimethyl-2,3-dihydroindol-3-yl)methanamine
CID 82276793

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,5-dimethyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 3-(aminomethyl)-4,5-dimethyl-1,3-dihydroquinoxalin-2-one (CID 84620565) is 3-(aminomethyl)-4,5-dimethyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-(aminomethyl)-4,5-dimethyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 3-(aminomethyl)-4,5-dimethyl-1,3-dihydroquinoxalin-2-one is Cc1cccc2c1N(C)C(CN)C(=O)N2.
What is the InChIKey of 3-(aminomethyl)-4,5-dimethyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is NTCIQZUETFDPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-4-3-5-8-10(7)14(2)9(6-12)11(15)13-8/h3-5,9H,6,12H2,1-2H3,(H,13,15).
What are the key properties of 3-(aminomethyl)-4,5-dimethyl-1,3-dihydroquinoxalin-2-one?
3-(aminomethyl)-4,5-dimethyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4,5-dimethyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 84620565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).