2-(4-methyl-1H-indol-3-yl)-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide

C24H22N4O2S — CID 166217461

IUPAC2-(4-methyl-1H-indol-3-yl)-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(NC(=O)Cc2c[nH]c3cccc(C)c23)nc1-c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C24H22N4O2S/c1-13-4-3-5-19-22(13)17(12-25-19)11-21(30)27-24-28-23(14(2)31-24)16-6-8-18-15(10-16)7-9-20(29)26-18/h3-6,8,10,12,25H,7,9,11H2,1-2H3,(H,26,29)(H,27,28,30)
InChIKeyXNARCSZJGFPLTD-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.97
Rot. Bonds4

About 2-(4-methyl-1H-indol-3-yl)-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide

2-(4-methyl-1H-indol-3-yl)-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 166217461) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-(4-methyl-1H-indol-3-yl)-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1H-indol-3-yl)-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID166217461
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name2-(4-methyl-1H-indol-3-yl)-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(NC(=O)Cc2c[nH]c3cccc(C)c23)nc1-c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C24H22N4O2S/c1-13-4-3-5-19-22(13)17(12-25-19)11-21(30)27-24-28-23(14(2)31-24)16-6-8-18-15(10-16)7-9-20(29)26-18/h3-6,8,10,12,25H,7,9,11H2,1-2H3,(H,26,29)(H,27,28,30)
InChIKeyXNARCSZJGFPLTD-UHFFFAOYSA-N
XLogP4.97
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1H-indol-3-yl)-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-methyl-1H-indol-3-yl)-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide (CID 166217461) is 2-(4-methyl-1H-indol-3-yl)-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methyl-1H-indol-3-yl)-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methyl-1H-indol-3-yl)-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide is Cc1sc(NC(=O)Cc2c[nH]c3cccc(C)c23)nc1-c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-(4-methyl-1H-indol-3-yl)-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is XNARCSZJGFPLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-13-4-3-5-19-22(13)17(12-25-19)11-21(30)27-24-28-23(14(2)31-24)16-6-8-18-15(10-16)7-9-20(29)26-18/h3-6,8,10,12,25H,7,9,11H2,1-2H3,(H,26,29)(H,27,28,30).
What are the key properties of 2-(4-methyl-1H-indol-3-yl)-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide?
2-(4-methyl-1H-indol-3-yl)-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 430.53 g/mol, XLogP of 4.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1H-indol-3-yl)-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 166217461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).