4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one

C17H15ClN2O2S — CID 9390348

IUPAC4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CSCc2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C17H15ClN2O2S/c18-13-7-5-12(6-8-13)10-23-11-17(22)20-9-16(21)19-14-3-1-2-4-15(14)20/h1-8H,9-11H2,(H,19,21)
InChIKeyPZXVNFDLVMPDPV-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.56
Rot. Bonds4

About 4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 9390348) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is 4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID9390348
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CSCc2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C17H15ClN2O2S/c18-13-7-5-12(6-8-13)10-23-11-17(22)20-9-16(21)19-14-3-1-2-4-15(14)20/h1-8H,9-11H2,(H,19,21)
InChIKeyPZXVNFDLVMPDPV-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 51280680
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
CID 55474513
4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 45007672
4-[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 35971169
4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453577
4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453973
4-chloro-N-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzenesulfonamide
CID 51142515
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023
4-[2-(4-sulfanylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 107021927
2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide
CID 60734018
4-(2-naphthalen-2-ylacetyl)-1,3-dihydroquinoxalin-2-one
CID 16864035
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one (CID 9390348) is 4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)CSCc2ccc(Cl)cc2)c2ccccc2N1.
What is the InChIKey of 4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is PZXVNFDLVMPDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c18-13-7-5-12(6-8-13)10-23-11-17(22)20-9-16(21)19-14-3-1-2-4-15(14)20/h1-8H,9-11H2,(H,19,21).
What are the key properties of 4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 346.84 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 9390348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).