7-chloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione

C16H12ClNO2 — CID 11601657

IUPAC7-chloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione
SMILESCC1(c2ccccc2)C(=O)Nc2cc(Cl)ccc2C1=O
InChIInChI=1S/C16H12ClNO2/c1-16(10-5-3-2-4-6-10)14(19)12-8-7-11(17)9-13(12)18-15(16)20/h2-9H,1H3,(H,18,20)
InChIKeyNEAMUCFKQGSSLC-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.43
Rot. Bonds1

About 7-chloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione

7-chloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione (PubChem CID 11601657) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 7-chloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name7-chloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione
PubChem CID11601657
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name7-chloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione
SMILESCC1(c2ccccc2)C(=O)Nc2cc(Cl)ccc2C1=O
InChIInChI=1S/C16H12ClNO2/c1-16(10-5-3-2-4-6-10)14(19)12-8-7-11(17)9-13(12)18-15(16)20/h2-9H,1H3,(H,18,20)
InChIKeyNEAMUCFKQGSSLC-UHFFFAOYSA-N
XLogP3.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.43
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 7-chloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione?
The IUPAC name of 7-chloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione (CID 11601657) is 7-chloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione.
What is the SMILES notation for 7-chloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione?
The canonical SMILES for 7-chloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione is CC1(c2ccccc2)C(=O)Nc2cc(Cl)ccc2C1=O.
What is the InChIKey of 7-chloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione?
The InChIKey is NEAMUCFKQGSSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-16(10-5-3-2-4-6-10)14(19)12-8-7-11(17)9-13(12)18-15(16)20/h2-9H,1H3,(H,18,20).
What are the key properties of 7-chloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione?
7-chloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione has a molecular weight of 285.73 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 11601657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).