4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one

C13H12Cl2N2O2 — CID 30094711

IUPAC4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
SMILESC[C@@]1(C(=O)N2CC(=O)Nc3ccccc32)CC1(Cl)Cl
InChIInChI=1S/C13H12Cl2N2O2/c1-12(7-13(12,14)15)11(19)17-6-10(18)16-8-4-2-3-5-9(8)17/h2-5H,6-7H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyGFTNXNCGKBLMLB-LBPRGKRZSA-N
MW299.16 g/mol
LogP2.56
Rot. Bonds1

About 4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one

4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 30094711) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
PubChem CID30094711
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
SMILESC[C@@]1(C(=O)N2CC(=O)Nc3ccccc32)CC1(Cl)Cl
InChIInChI=1S/C13H12Cl2N2O2/c1-12(7-13(12,14)15)11(19)17-6-10(18)16-8-4-2-3-5-9(8)17/h2-5H,6-7H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyGFTNXNCGKBLMLB-LBPRGKRZSA-N
XLogP2.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2634946
4-(4-ethylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63127785
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 80587760
4-[4-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43333513
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-(3-ethylpyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63138879
4-ethanimidoyl-1,3-dihydroquinoxalin-2-one
CID 63172914
4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one
CID 4749914
4-(5-methylfuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 2475308
4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 63195251
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one (CID 30094711) is 4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one is C[C@@]1(C(=O)N2CC(=O)Nc3ccccc32)CC1(Cl)Cl.
What is the InChIKey of 4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is GFTNXNCGKBLMLB-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-12(7-13(12,14)15)11(19)17-6-10(18)16-8-4-2-3-5-9(8)17/h2-5H,6-7H2,1H3,(H,16,18)/t12-/m0/s1.
What are the key properties of 4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one?
4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 299.16 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 30094711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).