6'-bromospiro[1,3-dihydroquinazoline-4,4'-2,3-dihydrochromene]-2-one

C16H13BrN2O2 — CID 56652424

IUPAC6'-bromospiro[1,3-dihydroquinazoline-4,4'-2,3-dihydrochromene]-2-one
SMILESO=C1Nc2ccccc2C2(CCOc3ccc(Br)cc32)N1
InChIInChI=1S/C16H13BrN2O2/c17-10-5-6-14-12(9-10)16(7-8-21-14)11-3-1-2-4-13(11)18-15(20)19-16/h1-6,9H,7-8H2,(H2,18,19,20)
InChIKeyOXBNXVCGQRSRFA-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.61
Rot. Bonds

About 6'-bromospiro[1,3-dihydroquinazoline-4,4'-2,3-dihydrochromene]-2-one

6'-bromospiro[1,3-dihydroquinazoline-4,4'-2,3-dihydrochromene]-2-one (PubChem CID 56652424) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 6'-bromospiro[1,3-dihydroquinazoline-4,4'-2,3-dihydrochromene]-2-one.

Molecular Properties

Compound Name6'-bromospiro[1,3-dihydroquinazoline-4,4'-2,3-dihydrochromene]-2-one
PubChem CID56652424
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name6'-bromospiro[1,3-dihydroquinazoline-4,4'-2,3-dihydrochromene]-2-one
SMILESO=C1Nc2ccccc2C2(CCOc3ccc(Br)cc32)N1
InChIInChI=1S/C16H13BrN2O2/c17-10-5-6-14-12(9-10)16(7-8-21-14)11-3-1-2-4-13(11)18-15(20)19-16/h1-6,9H,7-8H2,(H2,18,19,20)
InChIKeyOXBNXVCGQRSRFA-UHFFFAOYSA-N
XLogP3.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6'-bromospiro[1,3-dihydroquinazoline-4,4'-2,3-dihydrochromene]-2-one?
The IUPAC name of 6'-bromospiro[1,3-dihydroquinazoline-4,4'-2,3-dihydrochromene]-2-one (CID 56652424) is 6'-bromospiro[1,3-dihydroquinazoline-4,4'-2,3-dihydrochromene]-2-one.
What is the SMILES notation for 6'-bromospiro[1,3-dihydroquinazoline-4,4'-2,3-dihydrochromene]-2-one?
The canonical SMILES for 6'-bromospiro[1,3-dihydroquinazoline-4,4'-2,3-dihydrochromene]-2-one is O=C1Nc2ccccc2C2(CCOc3ccc(Br)cc32)N1.
What is the InChIKey of 6'-bromospiro[1,3-dihydroquinazoline-4,4'-2,3-dihydrochromene]-2-one?
The InChIKey is OXBNXVCGQRSRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-10-5-6-14-12(9-10)16(7-8-21-14)11-3-1-2-4-13(11)18-15(20)19-16/h1-6,9H,7-8H2,(H2,18,19,20).
What are the key properties of 6'-bromospiro[1,3-dihydroquinazoline-4,4'-2,3-dihydrochromene]-2-one?
6'-bromospiro[1,3-dihydroquinazoline-4,4'-2,3-dihydrochromene]-2-one has a molecular weight of 345.20 g/mol, XLogP of 3.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-bromospiro[1,3-dihydroquinazoline-4,4'-2,3-dihydrochromene]-2-one is sourced from PubChem (CID 56652424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).