8-bromo-3-cyclopropyl-6-fluoro-2-[(2R)-oxolan-2-yl]quinazolin-4-one

C15H14BrFN2O2 — CID 170753118

IUPAC8-bromo-3-cyclopropyl-6-fluoro-2-[(2R)-oxolan-2-yl]quinazolin-4-one
SMILESO=c1c2cc(F)cc(Br)c2nc([C@H]2CCCO2)n1C1CC1
InChIInChI=1S/C15H14BrFN2O2/c16-11-7-8(17)6-10-13(11)18-14(12-2-1-5-21-12)19(15(10)20)9-3-4-9/h6-7,9,12H,1-5H2/t12-/m1/s1
InChIKeyCPJUJYGZOSTXHP-GFCCVEGCSA-N
MW353.19 g/mol
LogP3.48
Rot. Bonds2

About 8-bromo-3-cyclopropyl-6-fluoro-2-[(2R)-oxolan-2-yl]quinazolin-4-one

8-bromo-3-cyclopropyl-6-fluoro-2-[(2R)-oxolan-2-yl]quinazolin-4-one (PubChem CID 170753118) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 8-bromo-3-cyclopropyl-6-fluoro-2-[(2R)-oxolan-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name8-bromo-3-cyclopropyl-6-fluoro-2-[(2R)-oxolan-2-yl]quinazolin-4-one
PubChem CID170753118
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name8-bromo-3-cyclopropyl-6-fluoro-2-[(2R)-oxolan-2-yl]quinazolin-4-one
SMILESO=c1c2cc(F)cc(Br)c2nc([C@H]2CCCO2)n1C1CC1
InChIInChI=1S/C15H14BrFN2O2/c16-11-7-8(17)6-10-13(11)18-14(12-2-1-5-21-12)19(15(10)20)9-3-4-9/h6-7,9,12H,1-5H2/t12-/m1/s1
InChIKeyCPJUJYGZOSTXHP-GFCCVEGCSA-N
XLogP3.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-cyclopropyl-6-fluoro-2-[(2R)-oxolan-2-yl]quinazolin-4-one?
The IUPAC name of 8-bromo-3-cyclopropyl-6-fluoro-2-[(2R)-oxolan-2-yl]quinazolin-4-one (CID 170753118) is 8-bromo-3-cyclopropyl-6-fluoro-2-[(2R)-oxolan-2-yl]quinazolin-4-one.
What is the SMILES notation for 8-bromo-3-cyclopropyl-6-fluoro-2-[(2R)-oxolan-2-yl]quinazolin-4-one?
The canonical SMILES for 8-bromo-3-cyclopropyl-6-fluoro-2-[(2R)-oxolan-2-yl]quinazolin-4-one is O=c1c2cc(F)cc(Br)c2nc([C@H]2CCCO2)n1C1CC1.
What is the InChIKey of 8-bromo-3-cyclopropyl-6-fluoro-2-[(2R)-oxolan-2-yl]quinazolin-4-one?
The InChIKey is CPJUJYGZOSTXHP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c16-11-7-8(17)6-10-13(11)18-14(12-2-1-5-21-12)19(15(10)20)9-3-4-9/h6-7,9,12H,1-5H2/t12-/m1/s1.
What are the key properties of 8-bromo-3-cyclopropyl-6-fluoro-2-[(2R)-oxolan-2-yl]quinazolin-4-one?
8-bromo-3-cyclopropyl-6-fluoro-2-[(2R)-oxolan-2-yl]quinazolin-4-one has a molecular weight of 353.19 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-cyclopropyl-6-fluoro-2-[(2R)-oxolan-2-yl]quinazolin-4-one is sourced from PubChem (CID 170753118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).