8-bromo-7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline

C16H16BrFN4O — CID 58475298

IUPAC8-bromo-7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline
SMILESCc1nc2c(N3CCN(C)CC3)nc3cc(F)c(Br)cc3c2o1
InChIInChI=1S/C16H16BrFN4O/c1-9-19-14-15(23-9)10-7-11(17)12(18)8-13(10)20-16(14)22-5-3-21(2)4-6-22/h7-8H,3-6H2,1-2H3
InChIKeyJOWKBFYJZVRFRW-UHFFFAOYSA-N
MW379.23 g/mol
LogP3.34
Rot. Bonds1

About 8-bromo-7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline

8-bromo-7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline (PubChem CID 58475298) has the molecular formula C16H16BrFN4O and a molecular weight of 379.23 g/mol. Its IUPAC name is 8-bromo-7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline.

Molecular Properties

Compound Name8-bromo-7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline
PubChem CID58475298
Molecular FormulaC16H16BrFN4O
Molecular Weight379.23 g/mol
Exact Mass378.05
IUPAC Name8-bromo-7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline
SMILESCc1nc2c(N3CCN(C)CC3)nc3cc(F)c(Br)cc3c2o1
InChIInChI=1S/C16H16BrFN4O/c1-9-19-14-15(23-9)10-7-11(17)12(18)8-13(10)20-16(14)22-5-3-21(2)4-6-22/h7-8H,3-6H2,1-2H3
InChIKeyJOWKBFYJZVRFRW-UHFFFAOYSA-N
XLogP3.34
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline?
The IUPAC name of 8-bromo-7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline (CID 58475298) is 8-bromo-7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline.
What is the SMILES notation for 8-bromo-7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline?
The canonical SMILES for 8-bromo-7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline is Cc1nc2c(N3CCN(C)CC3)nc3cc(F)c(Br)cc3c2o1.
What is the InChIKey of 8-bromo-7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline?
The InChIKey is JOWKBFYJZVRFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN4O/c1-9-19-14-15(23-9)10-7-11(17)12(18)8-13(10)20-16(14)22-5-3-21(2)4-6-22/h7-8H,3-6H2,1-2H3.
What are the key properties of 8-bromo-7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline?
8-bromo-7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline has a molecular weight of 379.23 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline is sourced from PubChem (CID 58475298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).