8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one

C18H19BrN2O5 — CID 86672414

IUPAC8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one
SMILESO=C(c1cc(Br)c2oc(N3CCOCC3)cc(=O)c2c1)N1CCOCC1
InChIInChI=1S/C18H19BrN2O5/c19-14-10-12(18(23)21-3-7-25-8-4-21)9-13-15(22)11-16(26-17(13)14)20-1-5-24-6-2-20/h9-11H,1-8H2
InChIKeyHDPKRZLOVLKJHY-UHFFFAOYSA-N
MW423.26 g/mol
LogP1.86
Rot. Bonds2

About 8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one

8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one (PubChem CID 86672414) has the molecular formula C18H19BrN2O5 and a molecular weight of 423.26 g/mol. Its IUPAC name is 8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one
PubChem CID86672414
Molecular FormulaC18H19BrN2O5
Molecular Weight423.26 g/mol
Exact Mass422.05
IUPAC Name8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one
SMILESO=C(c1cc(Br)c2oc(N3CCOCC3)cc(=O)c2c1)N1CCOCC1
InChIInChI=1S/C18H19BrN2O5/c19-14-10-12(18(23)21-3-7-25-8-4-21)9-13-15(22)11-16(26-17(13)14)20-1-5-24-6-2-20/h9-11H,1-8H2
InChIKeyHDPKRZLOVLKJHY-UHFFFAOYSA-N
XLogP1.86
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one (CID 86672414) is 8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one is O=C(c1cc(Br)c2oc(N3CCOCC3)cc(=O)c2c1)N1CCOCC1.
What is the InChIKey of 8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one?
The InChIKey is HDPKRZLOVLKJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O5/c19-14-10-12(18(23)21-3-7-25-8-4-21)9-13-15(22)11-16(26-17(13)14)20-1-5-24-6-2-20/h9-11H,1-8H2.
What are the key properties of 8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one?
8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one has a molecular weight of 423.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 86672414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).