6-acetyl-8-bromo-2-morpholin-4-ylchromen-4-one

C15H14BrNO4 — CID 89087944

IUPAC6-acetyl-8-bromo-2-morpholin-4-ylchromen-4-one
SMILESCC(=O)c1cc(Br)c2oc(N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C15H14BrNO4/c1-9(18)10-6-11-13(19)8-14(17-2-4-20-5-3-17)21-15(11)12(16)7-10/h6-8H,2-5H2,1H3
InChIKeyWNYHFKFMSMNJQB-UHFFFAOYSA-N
MW352.18 g/mol
LogP2.59
Rot. Bonds2

About 6-acetyl-8-bromo-2-morpholin-4-ylchromen-4-one

6-acetyl-8-bromo-2-morpholin-4-ylchromen-4-one (PubChem CID 89087944) has the molecular formula C15H14BrNO4 and a molecular weight of 352.18 g/mol. Its IUPAC name is 6-acetyl-8-bromo-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name6-acetyl-8-bromo-2-morpholin-4-ylchromen-4-one
PubChem CID89087944
Molecular FormulaC15H14BrNO4
Molecular Weight352.18 g/mol
Exact Mass351.01
IUPAC Name6-acetyl-8-bromo-2-morpholin-4-ylchromen-4-one
SMILESCC(=O)c1cc(Br)c2oc(N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C15H14BrNO4/c1-9(18)10-6-11-13(19)8-14(17-2-4-20-5-3-17)21-15(11)12(16)7-10/h6-8H,2-5H2,1H3
InChIKeyWNYHFKFMSMNJQB-UHFFFAOYSA-N
XLogP2.59
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-bromo-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 6-acetyl-8-bromo-2-morpholin-4-ylchromen-4-one (CID 89087944) is 6-acetyl-8-bromo-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 6-acetyl-8-bromo-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 6-acetyl-8-bromo-2-morpholin-4-ylchromen-4-one is CC(=O)c1cc(Br)c2oc(N3CCOCC3)cc(=O)c2c1.
What is the InChIKey of 6-acetyl-8-bromo-2-morpholin-4-ylchromen-4-one?
The InChIKey is WNYHFKFMSMNJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4/c1-9(18)10-6-11-13(19)8-14(17-2-4-20-5-3-17)21-15(11)12(16)7-10/h6-8H,2-5H2,1H3.
What are the key properties of 6-acetyl-8-bromo-2-morpholin-4-ylchromen-4-one?
6-acetyl-8-bromo-2-morpholin-4-ylchromen-4-one has a molecular weight of 352.18 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-bromo-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 89087944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).