3,3-dichloro-1-methylquinoline-2,4-dione

C10H7Cl2NO2 — CID 2785054

IUPAC3,3-dichloro-1-methylquinoline-2,4-dione
SMILESCN1C(=O)C(Cl)(Cl)C(=O)c2ccccc21
InChIInChI=1S/C10H7Cl2NO2/c1-13-7-5-3-2-4-6(7)8(14)10(11,12)9(13)15/h2-5H,1H3
InChIKeyCWHVPZVGWJBXIF-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.02
Rot. Bonds

About 3,3-dichloro-1-methylquinoline-2,4-dione

3,3-dichloro-1-methylquinoline-2,4-dione (PubChem CID 2785054) has the molecular formula C10H7Cl2NO2 and a molecular weight of 244.08 g/mol. Its IUPAC name is 3,3-dichloro-1-methylquinoline-2,4-dione.

Molecular Properties

Compound Name3,3-dichloro-1-methylquinoline-2,4-dione
PubChem CID2785054
Molecular FormulaC10H7Cl2NO2
Molecular Weight244.08 g/mol
Exact Mass242.99
IUPAC Name3,3-dichloro-1-methylquinoline-2,4-dione
SMILESCN1C(=O)C(Cl)(Cl)C(=O)c2ccccc21
InChIInChI=1S/C10H7Cl2NO2/c1-13-7-5-3-2-4-6(7)8(14)10(11,12)9(13)15/h2-5H,1H3
InChIKeyCWHVPZVGWJBXIF-UHFFFAOYSA-N
XLogP2.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-1-methylquinoline-2,4-dione?
The IUPAC name of 3,3-dichloro-1-methylquinoline-2,4-dione (CID 2785054) is 3,3-dichloro-1-methylquinoline-2,4-dione.
What is the SMILES notation for 3,3-dichloro-1-methylquinoline-2,4-dione?
The canonical SMILES for 3,3-dichloro-1-methylquinoline-2,4-dione is CN1C(=O)C(Cl)(Cl)C(=O)c2ccccc21.
What is the InChIKey of 3,3-dichloro-1-methylquinoline-2,4-dione?
The InChIKey is CWHVPZVGWJBXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2/c1-13-7-5-3-2-4-6(7)8(14)10(11,12)9(13)15/h2-5H,1H3.
What are the key properties of 3,3-dichloro-1-methylquinoline-2,4-dione?
3,3-dichloro-1-methylquinoline-2,4-dione has a molecular weight of 244.08 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-1-methylquinoline-2,4-dione is sourced from PubChem (CID 2785054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).