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

C15H10ClNO2 — CID 2785082

IUPAC3-chloro-3-phenyl-1H-quinoline-2,4-dione
SMILESO=C1Nc2ccccc2C(=O)C1(Cl)c1ccccc1
InChIInChI=1S/C15H10ClNO2/c16-15(10-6-2-1-3-7-10)13(18)11-8-4-5-9-12(11)17-14(15)19/h1-9H,(H,17,19)
InChIKeyFLSDPVBBMLZXGV-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.96
Rot. Bonds1

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

3-chloro-3-phenyl-1H-quinoline-2,4-dione (PubChem CID 2785082) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 3-chloro-3-phenyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name3-chloro-3-phenyl-1H-quinoline-2,4-dione
PubChem CID2785082
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name3-chloro-3-phenyl-1H-quinoline-2,4-dione
SMILESO=C1Nc2ccccc2C(=O)C1(Cl)c1ccccc1
InChIInChI=1S/C15H10ClNO2/c16-15(10-6-2-1-3-7-10)13(18)11-8-4-5-9-12(11)17-14(15)19/h1-9H,(H,17,19)
InChIKeyFLSDPVBBMLZXGV-UHFFFAOYSA-N
XLogP2.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.96
H-Bond Donors ≤ 51
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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Related Compounds

3,5,8-trichloro-3-phenyl-1H-quinoline-2,4-dione
CID 110273063
7-amino-3,6-dichloro-3-phenyl-1H-1,8-naphthyridine-2,4-dione
CID 2784455
(3R)-3-benzyl-3-fluoro-1H-quinoline-2,4-dione
CID 825188
2-ethenyl-2-phenyl-1H-indol-3-one
CID 11118014
1-butyl-3-chloro-3-phenylquinoline-2,4-dione
CID 2780323
3,3-dichloro-1H-indol-2-one
CID 719018
3-hydroxy-N,N-dimethyl-2-oxo-3-phenyl-1H-indole-4-carboxamide
CID 102141067
(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408
3-fluoro-3-heptyl-1H-quinoline-2,4-dione
CID 2784364
2-(2-bromophenyl)-2-phenyl-1H-indol-3-one
CID 10959434
(3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
CID 6933020
8-fluoro-3-hydroxy-3-phenyl-1H-quinoline-2,4-dione
CID 2786500

Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-phenyl-1H-quinoline-2,4-dione?
The IUPAC name of 3-chloro-3-phenyl-1H-quinoline-2,4-dione (CID 2785082) is 3-chloro-3-phenyl-1H-quinoline-2,4-dione.
What is the SMILES notation for 3-chloro-3-phenyl-1H-quinoline-2,4-dione?
The canonical SMILES for 3-chloro-3-phenyl-1H-quinoline-2,4-dione is O=C1Nc2ccccc2C(=O)C1(Cl)c1ccccc1.
What is the InChIKey of 3-chloro-3-phenyl-1H-quinoline-2,4-dione?
The InChIKey is FLSDPVBBMLZXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c16-15(10-6-2-1-3-7-10)13(18)11-8-4-5-9-12(11)17-14(15)19/h1-9H,(H,17,19).
What are the key properties of 3-chloro-3-phenyl-1H-quinoline-2,4-dione?
3-chloro-3-phenyl-1H-quinoline-2,4-dione has a molecular weight of 271.70 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-phenyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 2785082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).