6,8-dichloro-N-(2,4-dichlorophenyl)-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxamide

C17H10Cl4N2O2S — CID 59323484

IUPAC6,8-dichloro-N-(2,4-dichlorophenyl)-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCSc1[nH]c2c(Cl)cc(Cl)cc2c(=O)c1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H10Cl4N2O2S/c1-26-17-13(16(25)22-12-3-2-7(18)5-10(12)20)15(24)9-4-8(19)6-11(21)14(9)23-17/h2-6H,1H3,(H,22,25)(H,23,24)
InChIKeyTUTRSODBBBLPRA-UHFFFAOYSA-N
MW448.16 g/mol
LogP6.12
Rot. Bonds3

About 6,8-dichloro-N-(2,4-dichlorophenyl)-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxamide

6,8-dichloro-N-(2,4-dichlorophenyl)-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 59323484) has the molecular formula C17H10Cl4N2O2S and a molecular weight of 448.16 g/mol. Its IUPAC name is 6,8-dichloro-N-(2,4-dichlorophenyl)-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-N-(2,4-dichlorophenyl)-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID59323484
Molecular FormulaC17H10Cl4N2O2S
Molecular Weight448.16 g/mol
Exact Mass445.92
IUPAC Name6,8-dichloro-N-(2,4-dichlorophenyl)-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCSc1[nH]c2c(Cl)cc(Cl)cc2c(=O)c1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H10Cl4N2O2S/c1-26-17-13(16(25)22-12-3-2-7(18)5-10(12)20)15(24)9-4-8(19)6-11(21)14(9)23-17/h2-6H,1H3,(H,22,25)(H,23,24)
InChIKeyTUTRSODBBBLPRA-UHFFFAOYSA-N
XLogP6.12
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.16
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585
6-chloro-N-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 135497306
N-(2,4-dichlorophenyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 110698785
N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110864096
2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide
CID 2329395
N-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54706358
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
N-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 134914068
2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
CID 27666994
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-(2,4-dichlorophenyl)-4-methylsulfanyl-3-nitrobenzamide
CID 4849217
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(2,4-dichlorophenyl)-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6,8-dichloro-N-(2,4-dichlorophenyl)-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxamide (CID 59323484) is 6,8-dichloro-N-(2,4-dichlorophenyl)-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6,8-dichloro-N-(2,4-dichlorophenyl)-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6,8-dichloro-N-(2,4-dichlorophenyl)-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxamide is CSc1[nH]c2c(Cl)cc(Cl)cc2c(=O)c1C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 6,8-dichloro-N-(2,4-dichlorophenyl)-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is TUTRSODBBBLPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl4N2O2S/c1-26-17-13(16(25)22-12-3-2-7(18)5-10(12)20)15(24)9-4-8(19)6-11(21)14(9)23-17/h2-6H,1H3,(H,22,25)(H,23,24).
What are the key properties of 6,8-dichloro-N-(2,4-dichlorophenyl)-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxamide?
6,8-dichloro-N-(2,4-dichlorophenyl)-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 448.16 g/mol, XLogP of 6.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(2,4-dichlorophenyl)-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 59323484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).