2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

C20H13Cl2N3OS — CID 4108554

IUPAC2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)Nc1nccs1
InChIInChI=1S/C20H13Cl2N3OS/c1-11-17(19(26)25-20-23-8-9-27-20)14-4-2-3-5-16(14)24-18(11)13-7-6-12(21)10-15(13)22/h2-10H,1H3,(H,23,25,26)
InChIKeySMLKMGYMIJAEFL-UHFFFAOYSA-N
MW414.32 g/mol
LogP6.23
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 4108554) has the molecular formula C20H13Cl2N3OS and a molecular weight of 414.32 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID4108554
Molecular FormulaC20H13Cl2N3OS
Molecular Weight414.32 g/mol
Exact Mass413.02
IUPAC Name2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)Nc1nccs1
InChIInChI=1S/C20H13Cl2N3OS/c1-11-17(19(26)25-20-23-8-9-27-20)14-4-2-3-5-16(14)24-18(11)13-7-6-12(21)10-15(13)22/h2-10H,1H3,(H,23,25,26)
InChIKeySMLKMGYMIJAEFL-UHFFFAOYSA-N
XLogP6.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.32
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3498763
2-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 2259444
2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3662094
2-(2,4-dichlorophenyl)-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 3320099
2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide
CID 4245639
2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4112030
dimethyl 2-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 4124559
N-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide
CID 4651997
2-amino-4-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59519278
2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4052157
2-(2,4-dichlorophenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-methylquinoline-4-carboxamide
CID 5066785
2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide
CID 5165996

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 4108554) is 2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)Nc1nccs1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is SMLKMGYMIJAEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3OS/c1-11-17(19(26)25-20-23-8-9-27-20)14-4-2-3-5-16(14)24-18(11)13-7-6-12(21)10-15(13)22/h2-10H,1H3,(H,23,25,26).
What are the key properties of 2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 414.32 g/mol, XLogP of 6.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 4108554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).