6,8-dichloro-3-(2,6-dimethylmorpholine-4-carbonyl)chromen-2-one

C16H15Cl2NO4 — CID 653775

IUPAC6,8-dichloro-3-(2,6-dimethylmorpholine-4-carbonyl)chromen-2-one
SMILESCC1CN(C(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)CC(C)O1
InChIInChI=1S/C16H15Cl2NO4/c1-8-6-19(7-9(2)22-8)15(20)12-4-10-3-11(17)5-13(18)14(10)23-16(12)21/h3-5,8-9H,6-7H2,1-2H3
InChIKeyVHQMGXYTXAOQAP-UHFFFAOYSA-N
MW356.21 g/mol
LogP3.35
Rot. Bonds1

About 6,8-dichloro-3-(2,6-dimethylmorpholine-4-carbonyl)chromen-2-one

6,8-dichloro-3-(2,6-dimethylmorpholine-4-carbonyl)chromen-2-one (PubChem CID 653775) has the molecular formula C16H15Cl2NO4 and a molecular weight of 356.21 g/mol. Its IUPAC name is 6,8-dichloro-3-(2,6-dimethylmorpholine-4-carbonyl)chromen-2-one.

Molecular Properties

Compound Name6,8-dichloro-3-(2,6-dimethylmorpholine-4-carbonyl)chromen-2-one
PubChem CID653775
Molecular FormulaC16H15Cl2NO4
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name6,8-dichloro-3-(2,6-dimethylmorpholine-4-carbonyl)chromen-2-one
SMILESCC1CN(C(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)CC(C)O1
InChIInChI=1S/C16H15Cl2NO4/c1-8-6-19(7-9(2)22-8)15(20)12-4-10-3-11(17)5-13(18)14(10)23-16(12)21/h3-5,8-9H,6-7H2,1-2H3
InChIKeyVHQMGXYTXAOQAP-UHFFFAOYSA-N
XLogP3.35
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-(2,6-dimethylmorpholine-4-carbonyl)chromen-2-one?
The IUPAC name of 6,8-dichloro-3-(2,6-dimethylmorpholine-4-carbonyl)chromen-2-one (CID 653775) is 6,8-dichloro-3-(2,6-dimethylmorpholine-4-carbonyl)chromen-2-one.
What is the SMILES notation for 6,8-dichloro-3-(2,6-dimethylmorpholine-4-carbonyl)chromen-2-one?
The canonical SMILES for 6,8-dichloro-3-(2,6-dimethylmorpholine-4-carbonyl)chromen-2-one is CC1CN(C(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)CC(C)O1.
What is the InChIKey of 6,8-dichloro-3-(2,6-dimethylmorpholine-4-carbonyl)chromen-2-one?
The InChIKey is VHQMGXYTXAOQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4/c1-8-6-19(7-9(2)22-8)15(20)12-4-10-3-11(17)5-13(18)14(10)23-16(12)21/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 6,8-dichloro-3-(2,6-dimethylmorpholine-4-carbonyl)chromen-2-one?
6,8-dichloro-3-(2,6-dimethylmorpholine-4-carbonyl)chromen-2-one has a molecular weight of 356.21 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-(2,6-dimethylmorpholine-4-carbonyl)chromen-2-one is sourced from PubChem (CID 653775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).