(3S)-3-chloro-3-methyl-1-phenylquinoline-2,4-dione

C16H12ClNO2 — CID 825075

IUPAC(3S)-3-chloro-3-methyl-1-phenylquinoline-2,4-dione
SMILESC[C@]1(Cl)C(=O)c2ccccc2N(c2ccccc2)C1=O
InChIInChI=1S/C16H12ClNO2/c1-16(17)14(19)12-9-5-6-10-13(12)18(15(16)20)11-7-3-2-4-8-11/h2-10H,1H3/t16-/m0/s1
InChIKeyYUTULTRRAHYSJP-INIZCTEOSA-N
MW285.73 g/mol
LogP3.55
Rot. Bonds1

About (3S)-3-chloro-3-methyl-1-phenylquinoline-2,4-dione

(3S)-3-chloro-3-methyl-1-phenylquinoline-2,4-dione (PubChem CID 825075) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is (3S)-3-chloro-3-methyl-1-phenylquinoline-2,4-dione.

Molecular Properties

Compound Name(3S)-3-chloro-3-methyl-1-phenylquinoline-2,4-dione
PubChem CID825075
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name(3S)-3-chloro-3-methyl-1-phenylquinoline-2,4-dione
SMILESC[C@]1(Cl)C(=O)c2ccccc2N(c2ccccc2)C1=O
InChIInChI=1S/C16H12ClNO2/c1-16(17)14(19)12-9-5-6-10-13(12)18(15(16)20)11-7-3-2-4-8-11/h2-10H,1H3/t16-/m0/s1
InChIKeyYUTULTRRAHYSJP-INIZCTEOSA-N
XLogP3.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.55
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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Related Compounds

3-butyl-3-chloro-1-phenylquinoline-2,4-dione
CID 15034501
3-hydroxy-1,3-diphenylquinoline-2,4-dione
CID 2784001
(3R)-1-butyl-3-chloro-3-methylquinoline-2,4-dione
CID 7003892
14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 59838794
(3-butyl-2,4-dioxo-1-phenylquinolin-3-yl) thiocyanate
CID 11416820
3,3-dimethyl-1,1-dioxo-5-phenyl-2H-1λ6,5-benzothiazepin-4-one
CID 19599347
3-diazo-1-phenylquinoline-2,4-dione
CID 142772637
3,4-dimethyl-1-phenyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 123938434
3,3-dimethyl-1-phenylindole-2-thione
CID 14113261
1-butyl-3-chloro-3-phenylquinoline-2,4-dione
CID 2780323
(2E)-2-[(4-methoxyphenyl)methylidene]-1-phenylindol-3-one
CID 59748679
21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one
CID 164838773

Frequently Asked Questions

What is the IUPAC name of (3S)-3-chloro-3-methyl-1-phenylquinoline-2,4-dione?
The IUPAC name of (3S)-3-chloro-3-methyl-1-phenylquinoline-2,4-dione (CID 825075) is (3S)-3-chloro-3-methyl-1-phenylquinoline-2,4-dione.
What is the SMILES notation for (3S)-3-chloro-3-methyl-1-phenylquinoline-2,4-dione?
The canonical SMILES for (3S)-3-chloro-3-methyl-1-phenylquinoline-2,4-dione is C[C@]1(Cl)C(=O)c2ccccc2N(c2ccccc2)C1=O.
What is the InChIKey of (3S)-3-chloro-3-methyl-1-phenylquinoline-2,4-dione?
The InChIKey is YUTULTRRAHYSJP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-16(17)14(19)12-9-5-6-10-13(12)18(15(16)20)11-7-3-2-4-8-11/h2-10H,1H3/t16-/m0/s1.
What are the key properties of (3S)-3-chloro-3-methyl-1-phenylquinoline-2,4-dione?
(3S)-3-chloro-3-methyl-1-phenylquinoline-2,4-dione has a molecular weight of 285.73 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-chloro-3-methyl-1-phenylquinoline-2,4-dione is sourced from PubChem (CID 825075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).