7-bromo-6-fluoro-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one

C12H14BrFN2O — CID 79295940

IUPAC7-bromo-6-fluoro-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(C)CN1CC(=O)Nc2cc(Br)c(F)cc21
InChIInChI=1S/C12H14BrFN2O/c1-7(2)5-16-6-12(17)15-10-3-8(13)9(14)4-11(10)16/h3-4,7H,5-6H2,1-2H3,(H,15,17)
InChIKeyDQGZRFSWFPTNIQ-UHFFFAOYSA-N
MW301.16 g/mol
LogP3.00
Rot. Bonds2

About 7-bromo-6-fluoro-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one

7-bromo-6-fluoro-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 79295940) has the molecular formula C12H14BrFN2O and a molecular weight of 301.16 g/mol. Its IUPAC name is 7-bromo-6-fluoro-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-6-fluoro-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one
PubChem CID79295940
Molecular FormulaC12H14BrFN2O
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC Name7-bromo-6-fluoro-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(C)CN1CC(=O)Nc2cc(Br)c(F)cc21
InChIInChI=1S/C12H14BrFN2O/c1-7(2)5-16-6-12(17)15-10-3-8(13)9(14)4-11(10)16/h3-4,7H,5-6H2,1-2H3,(H,15,17)
InChIKeyDQGZRFSWFPTNIQ-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-Dibromo-1,4-dihydro-2,3-quinoxalinedione
CID 10591750
6-Bromo-1,2,3,4-tetrahydroquinoxalin-2-one
CID 66911307
N-(4-Bromophenyl)-2-(1-piperidinyl)acetamide
CID 326998
6,7-Dibromo-1,4-dihydroquinoxaline-2,3-dione
CID 15021835
7-Bromo-1,2,3,4-tetrahydroquinoxalin-2-one
CID 24707978
1-Piperidineacetamide, N-(3-bromophenyl)-
CID 969575
N-(4-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988159
6-Bromo-1,4-dihydroquinoxaline-2,3-dione
CID 5062264
6-Bromo-1-methyl-1,2,3,4-tetrahydroquinoxaline
CID 59418738
6-Bromo-1-methyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione
CID 3846596
5-Bromo-1,2,3,4-tetrahydroquinoxalin-2-one
CID 10727982
6-Bromo-3,4-dihydro-4-methyl-2(1H)-quinoxalinone
CID 22667740

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-fluoro-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 7-bromo-6-fluoro-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one (CID 79295940) is 7-bromo-6-fluoro-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-bromo-6-fluoro-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 7-bromo-6-fluoro-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one is CC(C)CN1CC(=O)Nc2cc(Br)c(F)cc21.
What is the InChIKey of 7-bromo-6-fluoro-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is DQGZRFSWFPTNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O/c1-7(2)5-16-6-12(17)15-10-3-8(13)9(14)4-11(10)16/h3-4,7H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 7-bromo-6-fluoro-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one?
7-bromo-6-fluoro-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 301.16 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-fluoro-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 79295940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).