8-bromo-7-fluoro-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one

C16H15BrFN3O2 — CID 118502998

IUPAC8-bromo-7-fluoro-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n([C@@H]2CCCOC2)c2c3cc(Br)c(F)cc3ncc21
InChIInChI=1S/C16H15BrFN3O2/c1-20-14-7-19-13-6-12(18)11(17)5-10(13)15(14)21(16(20)22)9-3-2-4-23-8-9/h5-7,9H,2-4,8H2,1H3/t9-/m1/s1
InChIKeyDLMXCRMQPUPMDG-SECBINFHSA-N
MW380.22 g/mol
LogP3.14
Rot. Bonds1

About 8-bromo-7-fluoro-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one

8-bromo-7-fluoro-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one (PubChem CID 118502998) has the molecular formula C16H15BrFN3O2 and a molecular weight of 380.22 g/mol. Its IUPAC name is 8-bromo-7-fluoro-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-7-fluoro-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
PubChem CID118502998
Molecular FormulaC16H15BrFN3O2
Molecular Weight380.22 g/mol
Exact Mass379.03
IUPAC Name8-bromo-7-fluoro-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n([C@@H]2CCCOC2)c2c3cc(Br)c(F)cc3ncc21
InChIInChI=1S/C16H15BrFN3O2/c1-20-14-7-19-13-6-12(18)11(17)5-10(13)15(14)21(16(20)22)9-3-2-4-23-8-9/h5-7,9H,2-4,8H2,1H3/t9-/m1/s1
InChIKeyDLMXCRMQPUPMDG-SECBINFHSA-N
XLogP3.14
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 53.14
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-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-7-fluoro-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one (CID 118502998) is 8-bromo-7-fluoro-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-7-fluoro-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-7-fluoro-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one is Cn1c(=O)n([C@@H]2CCCOC2)c2c3cc(Br)c(F)cc3ncc21.
What is the InChIKey of 8-bromo-7-fluoro-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is DLMXCRMQPUPMDG-SECBINFHSA-N. The full InChI is InChI=1S/C16H15BrFN3O2/c1-20-14-7-19-13-6-12(18)11(17)5-10(13)15(14)21(16(20)22)9-3-2-4-23-8-9/h5-7,9H,2-4,8H2,1H3/t9-/m1/s1.
What are the key properties of 8-bromo-7-fluoro-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one?
8-bromo-7-fluoro-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 380.22 g/mol, XLogP of 3.14, 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-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118502998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).