6-chloro-7-cyclohexyloxyquinoline-5,8-dione

C15H14ClNO3 — CID 132512635

IUPAC6-chloro-7-cyclohexyloxyquinoline-5,8-dione
SMILESO=C1C(Cl)=C(OC2CCCCC2)C(=O)c2ncccc21
InChIInChI=1S/C15H14ClNO3/c16-11-13(18)10-7-4-8-17-12(10)14(19)15(11)20-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyTZGUVYYVENIHEL-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.26
Rot. Bonds2

About 6-chloro-7-cyclohexyloxyquinoline-5,8-dione

6-chloro-7-cyclohexyloxyquinoline-5,8-dione (PubChem CID 132512635) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 6-chloro-7-cyclohexyloxyquinoline-5,8-dione.

Molecular Properties

Compound Name6-chloro-7-cyclohexyloxyquinoline-5,8-dione
PubChem CID132512635
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name6-chloro-7-cyclohexyloxyquinoline-5,8-dione
SMILESO=C1C(Cl)=C(OC2CCCCC2)C(=O)c2ncccc21
InChIInChI=1S/C15H14ClNO3/c16-11-13(18)10-7-4-8-17-12(10)14(19)15(11)20-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyTZGUVYYVENIHEL-UHFFFAOYSA-N
XLogP3.26
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-cyclohexyloxyquinoline-5,8-dione?
The IUPAC name of 6-chloro-7-cyclohexyloxyquinoline-5,8-dione (CID 132512635) is 6-chloro-7-cyclohexyloxyquinoline-5,8-dione.
What is the SMILES notation for 6-chloro-7-cyclohexyloxyquinoline-5,8-dione?
The canonical SMILES for 6-chloro-7-cyclohexyloxyquinoline-5,8-dione is O=C1C(Cl)=C(OC2CCCCC2)C(=O)c2ncccc21.
What is the InChIKey of 6-chloro-7-cyclohexyloxyquinoline-5,8-dione?
The InChIKey is TZGUVYYVENIHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-11-13(18)10-7-4-8-17-12(10)14(19)15(11)20-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2.
What are the key properties of 6-chloro-7-cyclohexyloxyquinoline-5,8-dione?
6-chloro-7-cyclohexyloxyquinoline-5,8-dione has a molecular weight of 291.73 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-cyclohexyloxyquinoline-5,8-dione is sourced from PubChem (CID 132512635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).