8-chloro-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-quinolin-4-one

C16H11Cl2NOS — CID 141173282

IUPAC8-chloro-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-quinolin-4-one
SMILESCc1[nH]c2c(Cl)cccc2c(=O)c1Sc1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl2NOS/c1-9-16(21-11-7-5-10(17)6-8-11)15(20)12-3-2-4-13(18)14(12)19-9/h2-8H,1H3,(H,19,20)
InChIKeyBJZFVCLUCMKOCN-UHFFFAOYSA-N
MW336.24 g/mol
LogP5.29
Rot. Bonds2

About 8-chloro-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-quinolin-4-one

8-chloro-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-quinolin-4-one (PubChem CID 141173282) has the molecular formula C16H11Cl2NOS and a molecular weight of 336.24 g/mol. Its IUPAC name is 8-chloro-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-quinolin-4-one
PubChem CID141173282
Molecular FormulaC16H11Cl2NOS
Molecular Weight336.24 g/mol
Exact Mass334.99
IUPAC Name8-chloro-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-quinolin-4-one
SMILESCc1[nH]c2c(Cl)cccc2c(=O)c1Sc1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl2NOS/c1-9-16(21-11-7-5-10(17)6-8-11)15(20)12-3-2-4-13(18)14(12)19-9/h2-8H,1H3,(H,19,20)
InChIKeyBJZFVCLUCMKOCN-UHFFFAOYSA-N
XLogP5.29
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.24
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-bis[(4-chlorophenyl)sulfanyl]cyclobut-3-ene-1,2-dione
CID 606826
3-(4-chlorophenyl)sulfanyl-4-(4-methylphenyl)sulfanylcyclobut-3-ene-1,2-dione
CID 118406601
7-chloro-3-iodo-2-methyl-1H-indole
CID 130049382
8-chloro-3-[(4-chlorophenyl)methyl]-4-methyl-1H-quinolin-2-one
CID 141173285
3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 58880554
2-chloroaniline;7-chloro-2-methyl-3-methylsulfanyl-1H-indole
CID 159379204
4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole
CID 121004885
3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one
CID 154707679
1,3-dichloro-2-(4-chlorophenyl)sulfanyl-5-methylbenzene
CID 20641469
8-chloro-1H-3,1-benzoxazine-2,4-dione
CID 517535
2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole
CID 10453718
5-chloro-9-oxo-10H-acridine-4-carboxylic acid
CID 620439

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-quinolin-4-one?
The IUPAC name of 8-chloro-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-quinolin-4-one (CID 141173282) is 8-chloro-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-quinolin-4-one is Cc1[nH]c2c(Cl)cccc2c(=O)c1Sc1ccc(Cl)cc1.
What is the InChIKey of 8-chloro-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-quinolin-4-one?
The InChIKey is BJZFVCLUCMKOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NOS/c1-9-16(21-11-7-5-10(17)6-8-11)15(20)12-3-2-4-13(18)14(12)19-9/h2-8H,1H3,(H,19,20).
What are the key properties of 8-chloro-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-quinolin-4-one?
8-chloro-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-quinolin-4-one has a molecular weight of 336.24 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 141173282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).