3-bromo-1H-quinoxalin-2-one;thiophene

C12H9BrN2OS — CID 175267639

IUPAC3-bromo-1H-quinoxalin-2-one;thiophene
SMILESO=c1[nH]c2ccccc2nc1Br.c1ccsc1
InChIInChI=1S/C8H5BrN2O.C4H4S/c9-7-8(12)11-6-4-2-1-3-5(6)10-7;1-2-4-5-3-1/h1-4H,(H,11,12);1-4H
InChIKeyOCYSJVLXNRCYPC-UHFFFAOYSA-N
MW309.19 g/mol
LogP3.43
Rot. Bonds

About 3-bromo-1H-quinoxalin-2-one;thiophene

3-bromo-1H-quinoxalin-2-one;thiophene (PubChem CID 175267639) has the molecular formula C12H9BrN2OS and a molecular weight of 309.19 g/mol. Its IUPAC name is 3-bromo-1H-quinoxalin-2-one;thiophene.

Molecular Properties

Compound Name3-bromo-1H-quinoxalin-2-one;thiophene
PubChem CID175267639
Molecular FormulaC12H9BrN2OS
Molecular Weight309.19 g/mol
Exact Mass307.96
IUPAC Name3-bromo-1H-quinoxalin-2-one;thiophene
SMILESO=c1[nH]c2ccccc2nc1Br.c1ccsc1
InChIInChI=1S/C8H5BrN2O.C4H4S/c9-7-8(12)11-6-4-2-1-3-5(6)10-7;1-2-4-5-3-1/h1-4H,(H,11,12);1-4H
InChIKeyOCYSJVLXNRCYPC-UHFFFAOYSA-N
XLogP3.43
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-1H-quinoxalin-2-one
CID 11738152
3-[(S)-(4-bromophenyl)-chloromethyl]-1H-quinoxalin-2-one
CID 40543846
3-(propylamino)-1H-quinoxalin-2-one
CID 167442718
3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one
CID 142897064
3-phosphorosooxy-1H-quinoxalin-2-one
CID 57453617
3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one
CID 137037919
3-(azidomethyl)-1H-quinoxalin-2-one
CID 55137763
3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one
CID 13425945
3-[bis(2-methylpropyl)phosphoryl]-1H-quinoxalin-2-one
CID 132601229
3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
CID 7150501
3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
CID 143678915
3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135713003

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1H-quinoxalin-2-one;thiophene?
The IUPAC name of 3-bromo-1H-quinoxalin-2-one;thiophene (CID 175267639) is 3-bromo-1H-quinoxalin-2-one;thiophene.
What is the SMILES notation for 3-bromo-1H-quinoxalin-2-one;thiophene?
The canonical SMILES for 3-bromo-1H-quinoxalin-2-one;thiophene is O=c1[nH]c2ccccc2nc1Br.c1ccsc1.
What is the InChIKey of 3-bromo-1H-quinoxalin-2-one;thiophene?
The InChIKey is OCYSJVLXNRCYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O.C4H4S/c9-7-8(12)11-6-4-2-1-3-5(6)10-7;1-2-4-5-3-1/h1-4H,(H,11,12);1-4H.
What are the key properties of 3-bromo-1H-quinoxalin-2-one;thiophene?
3-bromo-1H-quinoxalin-2-one;thiophene has a molecular weight of 309.19 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1H-quinoxalin-2-one;thiophene is sourced from PubChem (CID 175267639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).