(3Z)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

C26H22N4O2S — CID 55530318

About (3Z)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

(3Z)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (PubChem CID 55530318) has the molecular formula C26H22N4O2S and a molecular weight of 454.56 g/mol. Its IUPAC name is (3Z)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

• Compound Name: (3Z)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
• PubChem CID: 55530318
• Molecular Formula: C26H22N4O2S
• Molecular Weight: 454.56 g/mol
• Exact Mass: 454.15
• IUPAC Name: (3Z)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
• SMILES: COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)Nc2nnc(C3CC3)s2)cc1
• InChI: InChI=1S/C26H22N4O2S/c1-32-18-11-6-15(7-12-18)14-17-10-13-20-22(19-4-2-3-5-21(19)27-23(17)20)24(31)28-26-30-29-25(33-26)16-8-9-16/h2-7,11-12,14,16H,8-10,13H2,1H3,(H,28,30,31)/b17-14-
• InChIKey: KDWBBIATPAQRIM-VKAVYKQESA-N
• XLogP: 5.71
• TPSA: 77.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.56
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?

The IUPAC name of (3Z)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (CID 55530318) is (3Z)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.

What is the SMILES notation for (3Z)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?

The canonical SMILES for (3Z)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)Nc2nnc(C3CC3)s2)cc1.

What is the InChIKey of (3Z)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?

The InChIKey is KDWBBIATPAQRIM-VKAVYKQESA-N. The full InChI is InChI=1S/C26H22N4O2S/c1-32-18-11-6-15(7-12-18)14-17-10-13-20-22(19-4-2-3-5-21(19)27-23(17)20)24(31)28-26-30-29-25(33-26)16-8-9-16/h2-7,11-12,14,16H,8-10,13H2,1H3,(H,28,30,31)/b17-14-.

What are the key properties of (3Z)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?

(3Z)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide has a molecular weight of 454.56 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 55530318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).