6,8-dichloro-3-(4-methylpiperazine-1-carbonyl)chromen-2-one

C15H14Cl2N2O3 — CID 5301607

IUPAC6,8-dichloro-3-(4-methylpiperazine-1-carbonyl)chromen-2-one
SMILESCN1CCN(C(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)CC1
InChIInChI=1S/C15H14Cl2N2O3/c1-18-2-4-19(5-3-18)14(20)11-7-9-6-10(16)8-12(17)13(9)22-15(11)21/h6-8H,2-5H2,1H3
InChIKeyAMEVIFZAFJYODP-UHFFFAOYSA-N
MW341.19 g/mol
LogP2.49
Rot. Bonds1

About 6,8-dichloro-3-(4-methylpiperazine-1-carbonyl)chromen-2-one

6,8-dichloro-3-(4-methylpiperazine-1-carbonyl)chromen-2-one (PubChem CID 5301607) has the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.19 g/mol. Its IUPAC name is 6,8-dichloro-3-(4-methylpiperazine-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name6,8-dichloro-3-(4-methylpiperazine-1-carbonyl)chromen-2-one
PubChem CID5301607
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.19 g/mol
Exact Mass340.04
IUPAC Name6,8-dichloro-3-(4-methylpiperazine-1-carbonyl)chromen-2-one
SMILESCN1CCN(C(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)CC1
InChIInChI=1S/C15H14Cl2N2O3/c1-18-2-4-19(5-3-18)14(20)11-7-9-6-10(16)8-12(17)13(9)22-15(11)21/h6-8H,2-5H2,1H3
InChIKeyAMEVIFZAFJYODP-UHFFFAOYSA-N
XLogP2.49
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 52.49
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-(4-methylpiperazine-1-carbonyl)chromen-2-one?
The IUPAC name of 6,8-dichloro-3-(4-methylpiperazine-1-carbonyl)chromen-2-one (CID 5301607) is 6,8-dichloro-3-(4-methylpiperazine-1-carbonyl)chromen-2-one.
What is the SMILES notation for 6,8-dichloro-3-(4-methylpiperazine-1-carbonyl)chromen-2-one?
The canonical SMILES for 6,8-dichloro-3-(4-methylpiperazine-1-carbonyl)chromen-2-one is CN1CCN(C(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)CC1.
What is the InChIKey of 6,8-dichloro-3-(4-methylpiperazine-1-carbonyl)chromen-2-one?
The InChIKey is AMEVIFZAFJYODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3/c1-18-2-4-19(5-3-18)14(20)11-7-9-6-10(16)8-12(17)13(9)22-15(11)21/h6-8H,2-5H2,1H3.
What are the key properties of 6,8-dichloro-3-(4-methylpiperazine-1-carbonyl)chromen-2-one?
6,8-dichloro-3-(4-methylpiperazine-1-carbonyl)chromen-2-one has a molecular weight of 341.19 g/mol, XLogP of 2.49, 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-(4-methylpiperazine-1-carbonyl)chromen-2-one is sourced from PubChem (CID 5301607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).