8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one

C16H13BrN4O2 — CID 59620040

IUPAC8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1noc(C)c1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C16H13BrN4O2/c1-8-14(9(2)23-19-8)21-15-11-6-10(17)4-5-12(11)18-7-13(15)20(3)16(21)22/h4-7H,1-3H3
InChIKeyXVWPYPFUFDSLBZ-UHFFFAOYSA-N
MW373.21 g/mol
LogP3.24
Rot. Bonds1

About 8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one

8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59620040) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is 8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59620040
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC Name8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1noc(C)c1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C16H13BrN4O2/c1-8-14(9(2)23-19-8)21-15-11-6-10(17)4-5-12(11)18-7-13(15)20(3)16(21)22/h4-7H,1-3H3
InChIKeyXVWPYPFUFDSLBZ-UHFFFAOYSA-N
XLogP3.24
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59620040) is 8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one is Cc1noc(C)c1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21.
What is the InChIKey of 8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is XVWPYPFUFDSLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c1-8-14(9(2)23-19-8)21-15-11-6-10(17)4-5-12(11)18-7-13(15)20(3)16(21)22/h4-7H,1-3H3.
What are the key properties of 8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 373.21 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59620040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).