(3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one

C10H12N2O — CID 131142499

IUPAC(3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCc1cccc2c1NC(=O)[C@H](C)N2
InChIInChI=1S/C10H12N2O/c1-6-4-3-5-8-9(6)12-10(13)7(2)11-8/h3-5,7,11H,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyPMZSDMXBBFJFAO-ZETCQYMHSA-N
MW176.22 g/mol
LogP1.75
Rot. Bonds

About (3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one

(3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 131142499) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name(3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID131142499
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCc1cccc2c1NC(=O)[C@H](C)N2
InChIInChI=1S/C10H12N2O/c1-6-4-3-5-8-9(6)12-10(13)7(2)11-8/h3-5,7,11H,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyPMZSDMXBBFJFAO-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

Analyze (3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one with MolForge

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Related Compounds

8-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 71295703
2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline
CID 118011663
5-tert-butyl-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 84623056
9-chloro-3,6-dimethyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 170859681
2,5-dimethyl-4H-1,4-benzothiazin-3-one
CID 84619183
3,8-dimethyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 115095002
3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 11571880
(3S)-6,7-dichloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 62706932
3-cyclohexyl-7-methyl-1,3-dihydroindol-2-one
CID 82081633
(2E)-2-ethylidene-3,8-dimethyl-1H-quinolin-4-one
CID 144561524
2,3-dimethyl-6-methylsulfonyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 113416706
2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one
CID 54239079

Frequently Asked Questions

What is the IUPAC name of (3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of (3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one (CID 131142499) is (3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for (3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for (3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one is Cc1cccc2c1NC(=O)[C@H](C)N2.
What is the InChIKey of (3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is PMZSDMXBBFJFAO-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6-4-3-5-8-9(6)12-10(13)7(2)11-8/h3-5,7,11H,1-2H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one?
(3S)-3,8-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)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 131142499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).