7-(4-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione

C26H22N2O3S — CID 15988463

IUPAC7-(4-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCOc1ccc(C2CC(=O)c3cc(-c4nc(-c5ccc(C)cc5)cs4)c(=O)[nH]c3C2)cc1
InChIInChI=1S/C26H22N2O3S/c1-15-3-5-17(6-4-15)23-14-32-26(28-23)21-13-20-22(27-25(21)30)11-18(12-24(20)29)16-7-9-19(31-2)10-8-16/h3-10,13-14,18H,11-12H2,1-2H3,(H,27,30)
InChIKeyHXGXEJITPKMGHN-UHFFFAOYSA-N
MW442.54 g/mol
LogP5.40
Rot. Bonds4

About 7-(4-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione

7-(4-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 15988463) has the molecular formula C26H22N2O3S and a molecular weight of 442.54 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID15988463
Molecular FormulaC26H22N2O3S
Molecular Weight442.54 g/mol
Exact Mass442.14
IUPAC Name7-(4-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCOc1ccc(C2CC(=O)c3cc(-c4nc(-c5ccc(C)cc5)cs4)c(=O)[nH]c3C2)cc1
InChIInChI=1S/C26H22N2O3S/c1-15-3-5-17(6-4-15)23-14-32-26(28-23)21-13-20-22(27-25(21)30)11-18(12-24(20)29)16-7-9-19(31-2)10-8-16/h3-10,13-14,18H,11-12H2,1-2H3,(H,27,30)
InChIKeyHXGXEJITPKMGHN-UHFFFAOYSA-N
XLogP5.40
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 7-(4-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione (CID 15988463) is 7-(4-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 7-(4-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 7-(4-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione is COc1ccc(C2CC(=O)c3cc(-c4nc(-c5ccc(C)cc5)cs4)c(=O)[nH]c3C2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is HXGXEJITPKMGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3S/c1-15-3-5-17(6-4-15)23-14-32-26(28-23)21-13-20-22(27-25(21)30)11-18(12-24(20)29)16-7-9-19(31-2)10-8-16/h3-10,13-14,18H,11-12H2,1-2H3,(H,27,30).
What are the key properties of 7-(4-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione?
7-(4-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 442.54 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 15988463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).