(3,4-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-6-methylsulfanyl-2,3-dihydroquinolin-1-yl]methanone

C24H19Cl2FN2OS — CID 134096239

IUPAC(3,4-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-6-methylsulfanyl-2,3-dihydroquinolin-1-yl]methanone
SMILESCSc1ccc2c(c1)/C(=N/c1ccc(F)cc1)CC(C)N2C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H19Cl2FN2OS/c1-14-11-22(28-17-6-4-16(27)5-7-17)19-13-18(31-2)8-10-23(19)29(14)24(30)15-3-9-20(25)21(26)12-15/h3-10,12-14H,11H2,1-2H3/b28-22+
InChIKeyGUBOUOCBUHKHGI-XAYXJRQQSA-N
MW473.40 g/mol
LogP7.41
Rot. Bonds3

About (3,4-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-6-methylsulfanyl-2,3-dihydroquinolin-1-yl]methanone

(3,4-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-6-methylsulfanyl-2,3-dihydroquinolin-1-yl]methanone (PubChem CID 134096239) has the molecular formula C24H19Cl2FN2OS and a molecular weight of 473.40 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-6-methylsulfanyl-2,3-dihydroquinolin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-6-methylsulfanyl-2,3-dihydroquinolin-1-yl]methanone
PubChem CID134096239
Molecular FormulaC24H19Cl2FN2OS
Molecular Weight473.40 g/mol
Exact Mass472.06
IUPAC Name(3,4-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-6-methylsulfanyl-2,3-dihydroquinolin-1-yl]methanone
SMILESCSc1ccc2c(c1)/C(=N/c1ccc(F)cc1)CC(C)N2C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H19Cl2FN2OS/c1-14-11-22(28-17-6-4-16(27)5-7-17)19-13-18(31-2)8-10-23(19)29(14)24(30)15-3-9-20(25)21(26)12-15/h3-10,12-14H,11H2,1-2H3/b28-22+
InChIKeyGUBOUOCBUHKHGI-XAYXJRQQSA-N
XLogP7.41
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.40
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone
CID 171984661
(3,5-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]methanone
CID 134090751
[6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-nitrophenyl)methanone
CID 134094161
[5-chloro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-fluorophenyl)methanone
CID 134125547
(3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 873798
[6-fluoro-4-(4-fluorophenyl)imino-2-(trifluoromethyl)-2,3-dihydroquinolin-1-yl]-(3-fluoro-4-nitrophenyl)methanone
CID 134101834
6-fluoro-2-methyl-1-(pyridine-4-carbonyl)-2,3-dihydroquinolin-4-one
CID 56695445
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one
CID 134106081
1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
CID 134094154
1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
CID 134103977
(3R)-4-(3,4-dichlorobenzoyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one
CID 93322535

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-6-methylsulfanyl-2,3-dihydroquinolin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-6-methylsulfanyl-2,3-dihydroquinolin-1-yl]methanone (CID 134096239) is (3,4-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-6-methylsulfanyl-2,3-dihydroquinolin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-6-methylsulfanyl-2,3-dihydroquinolin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-6-methylsulfanyl-2,3-dihydroquinolin-1-yl]methanone is CSc1ccc2c(c1)/C(=N/c1ccc(F)cc1)CC(C)N2C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-6-methylsulfanyl-2,3-dihydroquinolin-1-yl]methanone?
The InChIKey is GUBOUOCBUHKHGI-XAYXJRQQSA-N. The full InChI is InChI=1S/C24H19Cl2FN2OS/c1-14-11-22(28-17-6-4-16(27)5-7-17)19-13-18(31-2)8-10-23(19)29(14)24(30)15-3-9-20(25)21(26)12-15/h3-10,12-14H,11H2,1-2H3/b28-22+.
What are the key properties of (3,4-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-6-methylsulfanyl-2,3-dihydroquinolin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-6-methylsulfanyl-2,3-dihydroquinolin-1-yl]methanone has a molecular weight of 473.40 g/mol, XLogP of 7.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-6-methylsulfanyl-2,3-dihydroquinolin-1-yl]methanone is sourced from PubChem (CID 134096239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).