3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one

C10H12ClN3O — CID 84624971

IUPAC3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one
SMILESCN1c2cc(Cl)ccc2NC(=O)C1CN
InChIInChI=1S/C10H12ClN3O/c1-14-8-4-6(11)2-3-7(8)13-10(15)9(14)5-12/h2-4,9H,5,12H2,1H3,(H,13,15)
InChIKeyVEWUCEPUSNUJJA-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.06
Rot. Bonds1

About 3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one

3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one (PubChem CID 84624971) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one
PubChem CID84624971
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one
SMILESCN1c2cc(Cl)ccc2NC(=O)C1CN
InChIInChI=1S/C10H12ClN3O/c1-14-8-4-6(11)2-3-7(8)13-10(15)9(14)5-12/h2-4,9H,5,12H2,1H3,(H,13,15)
InChIKeyVEWUCEPUSNUJJA-UHFFFAOYSA-N
XLogP1.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84625224
2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
CID 84627682
3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid
CID 82790655
3-(aminomethyl)-4,5-dimethyl-1,3-dihydroquinoxalin-2-one
CID 84620565
(3R)-3-(aminomethyl)-6-chloro-2-methyl-3H-isoindol-1-one
CID 125453551
3-(aminomethyl)-8-tert-butyl-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84632906
7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one
CID 84619430
(3R)-4-(2,4-dichlorophenyl)sulfonyl-3-propyl-1,3-dihydroquinoxalin-2-one
CID 7101918
2-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 114426901
3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one
CID 82237705
7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84624682
7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one
CID 115095619

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one (CID 84624971) is 3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one is CN1c2cc(Cl)ccc2NC(=O)C1CN.
What is the InChIKey of 3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is VEWUCEPUSNUJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-14-8-4-6(11)2-3-7(8)13-10(15)9(14)5-12/h2-4,9H,5,12H2,1H3,(H,13,15).
What are the key properties of 3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one?
3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 225.68 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 84624971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).