(3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione

C15H8Cl2FNO2 — CID 6933020

IUPAC(3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
SMILESO=C1Nc2cc(Cl)c(Cl)cc2C(=O)[C@]1(F)c1ccccc1
InChIInChI=1S/C15H8Cl2FNO2/c16-10-6-9-12(7-11(10)17)19-14(21)15(18,13(9)20)8-4-2-1-3-5-8/h1-7H,(H,19,21)/t15-/m1/s1
InChIKeyBVQZTGMWOCVHPR-OAHLLOKOSA-N
MW324.14 g/mol
LogP3.99
Rot. Bonds1

About (3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione

(3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione (PubChem CID 6933020) has the molecular formula C15H8Cl2FNO2 and a molecular weight of 324.14 g/mol. Its IUPAC name is (3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name(3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
PubChem CID6933020
Molecular FormulaC15H8Cl2FNO2
Molecular Weight324.14 g/mol
Exact Mass322.99
IUPAC Name(3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
SMILESO=C1Nc2cc(Cl)c(Cl)cc2C(=O)[C@]1(F)c1ccccc1
InChIInChI=1S/C15H8Cl2FNO2/c16-10-6-9-12(7-11(10)17)19-14(21)15(18,13(9)20)8-4-2-1-3-5-8/h1-7H,(H,19,21)/t15-/m1/s1
InChIKeyBVQZTGMWOCVHPR-OAHLLOKOSA-N
XLogP3.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione?
The IUPAC name of (3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione (CID 6933020) is (3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione.
What is the SMILES notation for (3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione?
The canonical SMILES for (3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione is O=C1Nc2cc(Cl)c(Cl)cc2C(=O)[C@]1(F)c1ccccc1.
What is the InChIKey of (3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione?
The InChIKey is BVQZTGMWOCVHPR-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H8Cl2FNO2/c16-10-6-9-12(7-11(10)17)19-14(21)15(18,13(9)20)8-4-2-1-3-5-8/h1-7H,(H,19,21)/t15-/m1/s1.
What are the key properties of (3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione?
(3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione has a molecular weight of 324.14 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 6933020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).