(3S)-6,7-dichloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one

C9H8Cl2N2O — CID 62706932

IUPAC(3S)-6,7-dichloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESC[C@@H]1Nc2cc(Cl)c(Cl)cc2NC1=O
InChIInChI=1S/C9H8Cl2N2O/c1-4-9(14)13-8-3-6(11)5(10)2-7(8)12-4/h2-4,12H,1H3,(H,13,14)/t4-/m0/s1
InChIKeySJFDPQBNAWKVCZ-BYPYZUCNSA-N
MW231.08 g/mol
LogP2.75
Rot. Bonds

About (3S)-6,7-dichloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one

(3S)-6,7-dichloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 62706932) has the molecular formula C9H8Cl2N2O and a molecular weight of 231.08 g/mol. Its IUPAC name is (3S)-6,7-dichloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name(3S)-6,7-dichloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID62706932
Molecular FormulaC9H8Cl2N2O
Molecular Weight231.08 g/mol
Exact Mass230.00
IUPAC Name(3S)-6,7-dichloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESC[C@@H]1Nc2cc(Cl)c(Cl)cc2NC1=O
InChIInChI=1S/C9H8Cl2N2O/c1-4-9(14)13-8-3-6(11)5(10)2-7(8)12-4/h2-4,12H,1H3,(H,13,14)/t4-/m0/s1
InChIKeySJFDPQBNAWKVCZ-BYPYZUCNSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-6,7-dichloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of (3S)-6,7-dichloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one (CID 62706932) is (3S)-6,7-dichloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for (3S)-6,7-dichloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for (3S)-6,7-dichloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one is C[C@@H]1Nc2cc(Cl)c(Cl)cc2NC1=O.
What is the InChIKey of (3S)-6,7-dichloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is SJFDPQBNAWKVCZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C9H8Cl2N2O/c1-4-9(14)13-8-3-6(11)5(10)2-7(8)12-4/h2-4,12H,1H3,(H,13,14)/t4-/m0/s1.
What are the key properties of (3S)-6,7-dichloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
(3S)-6,7-dichloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 231.08 g/mol, XLogP of 2.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6,7-dichloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 62706932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).