(3S)-3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one

C10H12N2O — CID 82410824

IUPAC(3S)-3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCc1ccc2c(c1)N[C@@H](C)C(=O)N2
InChIInChI=1S/C10H12N2O/c1-6-3-4-8-9(5-6)11-7(2)10(13)12-8/h3-5,7,11H,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyWNRMUMDXZAMAGV-ZETCQYMHSA-N
MW176.22 g/mol
LogP1.75
Rot. Bonds

About (3S)-3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one

(3S)-3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 82410824) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (3S)-3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name(3S)-3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID82410824
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(3S)-3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCc1ccc2c(c1)N[C@@H](C)C(=O)N2
InChIInChI=1S/C10H12N2O/c1-6-3-4-8-9(5-6)11-7(2)10(13)12-8/h3-5,7,11H,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyWNRMUMDXZAMAGV-ZETCQYMHSA-N
XLogP1.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Prilocaine
CID 4906
Prilocaine Hydrochloride
CID 92163
4-Propanoyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 8551010
7-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoxalin-2-one
CID 5311897
1,4-Dihydro-6-methylquinoxaline-2,3-dione
CID 73225
6,7-Dimethyl-2,3-quinoxalinediol
CID 247670
2(1H)-Quinoxalinone, 3,4-dihydro-
CID 185949
5,7-Dimethyl-1,4-dihydroquinoxaline-2,3-dione
CID 655777
N'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 3107635
1-Methyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 21297195
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(2,3-dimethylphenyl)acetamide
CID 2870460
3,3-Dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 595203

Frequently Asked Questions

What is the IUPAC name of (3S)-3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of (3S)-3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one (CID 82410824) is (3S)-3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for (3S)-3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for (3S)-3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one is Cc1ccc2c(c1)N[C@@H](C)C(=O)N2.
What is the InChIKey of (3S)-3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is WNRMUMDXZAMAGV-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6-3-4-8-9(5-6)11-7(2)10(13)12-8/h3-5,7,11H,1-2H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (3S)-3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one?
(3S)-3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 82410824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).