2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide

C21H14Cl2N4OS — CID 19592443

IUPAC2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide
SMILESCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1Sc1ncccn1
InChIInChI=1S/C21H14Cl2N4OS/c1-12-11-26-18-13(19(12)29-21-24-9-4-10-25-21)5-2-8-16(18)27-20(28)17-14(22)6-3-7-15(17)23/h2-11H,1H3,(H,27,28)
InChIKeyFTOFKDYAXHJOIC-UHFFFAOYSA-N
MW441.34 g/mol
LogP6.04
Rot. Bonds4

About 2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide

2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide (PubChem CID 19592443) has the molecular formula C21H14Cl2N4OS and a molecular weight of 441.34 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide
PubChem CID19592443
Molecular FormulaC21H14Cl2N4OS
Molecular Weight441.34 g/mol
Exact Mass440.03
IUPAC Name2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide
SMILESCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1Sc1ncccn1
InChIInChI=1S/C21H14Cl2N4OS/c1-12-11-26-18-13(19(12)29-21-24-9-4-10-25-21)5-2-8-16(18)27-20(28)17-14(22)6-3-7-15(17)23/h2-11H,1H3,(H,27,28)
InChIKeyFTOFKDYAXHJOIC-UHFFFAOYSA-N
XLogP6.04
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.34
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-N-[3-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinolin-8-yl]benzamide
CID 139782493
N-[4-(1H-benzimidazol-2-ylsulfanyl)-3-methylquinolin-8-yl]-2,6-dichlorobenzamide
CID 19592790
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide
CID 139782456
2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide
CID 139782357
2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide
CID 139782497
N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
CID 19592898
2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide
CID 19592923
2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide
CID 139782384
methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate
CID 139782616
2,6-dichloro-N-[3-methyl-4-(4-phenylimidazol-1-yl)quinolin-8-yl]benzamide
CID 139782382
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide (CID 19592443) is 2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide is Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1Sc1ncccn1.
What is the InChIKey of 2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide?
The InChIKey is FTOFKDYAXHJOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N4OS/c1-12-11-26-18-13(19(12)29-21-24-9-4-10-25-21)5-2-8-16(18)27-20(28)17-14(22)6-3-7-15(17)23/h2-11H,1H3,(H,27,28).
What are the key properties of 2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide?
2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide has a molecular weight of 441.34 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide is sourced from PubChem (CID 19592443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).