3-(4-chlorophenyl)-6-methyl-2-phenyl-3H-[1,3]thiazino[6,5-c]quinoline-1,5-dione

C24H17ClN2O2S — CID 71500418

IUPAC3-(4-chlorophenyl)-6-methyl-2-phenyl-3H-[1,3]thiazino[6,5-c]quinoline-1,5-dione
SMILESCn1c(=O)c2c(c3ccccc31)C(=O)N(c1ccccc1)C(c1ccc(Cl)cc1)S2
InChIInChI=1S/C24H17ClN2O2S/c1-26-19-10-6-5-9-18(19)20-21(23(26)29)30-24(15-11-13-16(25)14-12-15)27(22(20)28)17-7-3-2-4-8-17/h2-14,24H,1H3
InChIKeyFIJLMHGISJLHHJ-UHFFFAOYSA-N
MW432.93 g/mol
LogP5.64
Rot. Bonds2

About 3-(4-chlorophenyl)-6-methyl-2-phenyl-3H-[1,3]thiazino[6,5-c]quinoline-1,5-dione

3-(4-chlorophenyl)-6-methyl-2-phenyl-3H-[1,3]thiazino[6,5-c]quinoline-1,5-dione (PubChem CID 71500418) has the molecular formula C24H17ClN2O2S and a molecular weight of 432.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-methyl-2-phenyl-3H-[1,3]thiazino[6,5-c]quinoline-1,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-methyl-2-phenyl-3H-[1,3]thiazino[6,5-c]quinoline-1,5-dione
PubChem CID71500418
Molecular FormulaC24H17ClN2O2S
Molecular Weight432.93 g/mol
Exact Mass432.07
IUPAC Name3-(4-chlorophenyl)-6-methyl-2-phenyl-3H-[1,3]thiazino[6,5-c]quinoline-1,5-dione
SMILESCn1c(=O)c2c(c3ccccc31)C(=O)N(c1ccccc1)C(c1ccc(Cl)cc1)S2
InChIInChI=1S/C24H17ClN2O2S/c1-26-19-10-6-5-9-18(19)20-21(23(26)29)30-24(15-11-13-16(25)14-12-15)27(22(20)28)17-7-3-2-4-8-17/h2-14,24H,1H3
InChIKeyFIJLMHGISJLHHJ-UHFFFAOYSA-N
XLogP5.64
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.93
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-6-methyl-2-phenyl-3H-[1,3]thiazino[6,5-c]quinoline-1,5-dione with MolForge

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Related Compounds

(2R,5E)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 40850940
3-[(3S)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-hydroxy-1-methylquinolin-2-one
CID 135768068
(2S,5E)-2-(4-chlorophenyl)-3-(4-methylphenyl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 40871901
4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one
CID 22058094
(2S,5E)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 40871906
1-(3-chlorophenyl)-3,5-dimethylpyrazolo[4,5-c]quinolin-4-one
CID 2785498
2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one
CID 18887774
2,3-bis(4-methylphenyl)-2H-1,3-benzothiazin-4-one
CID 155320758
2-(4-chlorophenyl)-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one
CID 5237837
3-chloro-1,4-dimethylquinolin-2-one
CID 15643026
ethyl 4-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]benzoate
CID 86294187
3-bromo-1-methyl-4-phenylquinolin-2-one
CID 50999162

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-methyl-2-phenyl-3H-[1,3]thiazino[6,5-c]quinoline-1,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-6-methyl-2-phenyl-3H-[1,3]thiazino[6,5-c]quinoline-1,5-dione (CID 71500418) is 3-(4-chlorophenyl)-6-methyl-2-phenyl-3H-[1,3]thiazino[6,5-c]quinoline-1,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-6-methyl-2-phenyl-3H-[1,3]thiazino[6,5-c]quinoline-1,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-6-methyl-2-phenyl-3H-[1,3]thiazino[6,5-c]quinoline-1,5-dione is Cn1c(=O)c2c(c3ccccc31)C(=O)N(c1ccccc1)C(c1ccc(Cl)cc1)S2.
What is the InChIKey of 3-(4-chlorophenyl)-6-methyl-2-phenyl-3H-[1,3]thiazino[6,5-c]quinoline-1,5-dione?
The InChIKey is FIJLMHGISJLHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O2S/c1-26-19-10-6-5-9-18(19)20-21(23(26)29)30-24(15-11-13-16(25)14-12-15)27(22(20)28)17-7-3-2-4-8-17/h2-14,24H,1H3.
What are the key properties of 3-(4-chlorophenyl)-6-methyl-2-phenyl-3H-[1,3]thiazino[6,5-c]quinoline-1,5-dione?
3-(4-chlorophenyl)-6-methyl-2-phenyl-3H-[1,3]thiazino[6,5-c]quinoline-1,5-dione has a molecular weight of 432.93 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-methyl-2-phenyl-3H-[1,3]thiazino[6,5-c]quinoline-1,5-dione is sourced from PubChem (CID 71500418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).