7-chloro-N-(2,5-dimethylphenyl)-8-methyl-2-thiophen-2-ylquinoline-4-carboxamide

C23H19ClN2OS — CID 3827571

IUPAC7-chloro-N-(2,5-dimethylphenyl)-8-methyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)c1
InChIInChI=1S/C23H19ClN2OS/c1-13-6-7-14(2)19(11-13)26-23(27)17-12-20(21-5-4-10-28-21)25-22-15(3)18(24)9-8-16(17)22/h4-12H,1-3H3,(H,26,27)
InChIKeyRTNFEOBVEIIHLV-UHFFFAOYSA-N
MW406.94 g/mol
LogP6.79
Rot. Bonds3

About 7-chloro-N-(2,5-dimethylphenyl)-8-methyl-2-thiophen-2-ylquinoline-4-carboxamide

7-chloro-N-(2,5-dimethylphenyl)-8-methyl-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 3827571) has the molecular formula C23H19ClN2OS and a molecular weight of 406.94 g/mol. Its IUPAC name is 7-chloro-N-(2,5-dimethylphenyl)-8-methyl-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(2,5-dimethylphenyl)-8-methyl-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID3827571
Molecular FormulaC23H19ClN2OS
Molecular Weight406.94 g/mol
Exact Mass406.09
IUPAC Name7-chloro-N-(2,5-dimethylphenyl)-8-methyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)c1
InChIInChI=1S/C23H19ClN2OS/c1-13-6-7-14(2)19(11-13)26-23(27)17-12-20(21-5-4-10-28-21)25-22-15(3)18(24)9-8-16(17)22/h4-12H,1-3H3,(H,26,27)
InChIKeyRTNFEOBVEIIHLV-UHFFFAOYSA-N
XLogP6.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.94
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647714
N-(2,5-dimethylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25398784
N-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647736
7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 3769705
6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 17260002
7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 17368895
N-(2-chloro-4-methylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24592615
N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2340923
N-(4-fluorophenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647708
N-[2-chloro-5-[(2,5-dimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26500049
N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647725
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2,5-dimethylphenyl)-8-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of 7-chloro-N-(2,5-dimethylphenyl)-8-methyl-2-thiophen-2-ylquinoline-4-carboxamide (CID 3827571) is 7-chloro-N-(2,5-dimethylphenyl)-8-methyl-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 7-chloro-N-(2,5-dimethylphenyl)-8-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for 7-chloro-N-(2,5-dimethylphenyl)-8-methyl-2-thiophen-2-ylquinoline-4-carboxamide is Cc1ccc(C)c(NC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)c1.
What is the InChIKey of 7-chloro-N-(2,5-dimethylphenyl)-8-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is RTNFEOBVEIIHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2OS/c1-13-6-7-14(2)19(11-13)26-23(27)17-12-20(21-5-4-10-28-21)25-22-15(3)18(24)9-8-16(17)22/h4-12H,1-3H3,(H,26,27).
What are the key properties of 7-chloro-N-(2,5-dimethylphenyl)-8-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
7-chloro-N-(2,5-dimethylphenyl)-8-methyl-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 406.94 g/mol, XLogP of 6.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2,5-dimethylphenyl)-8-methyl-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 3827571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).