(3E)-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

C36H27ClN4O3 — CID 166387191

About (3E)-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

(3E)-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (PubChem CID 166387191) has the molecular formula C36H27ClN4O3 and a molecular weight of 599.09 g/mol. Its IUPAC name is (3E)-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

• Compound Name: (3E)-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
• PubChem CID: 166387191
• Molecular Formula: C36H27ClN4O3
• Molecular Weight: 599.09 g/mol
• Exact Mass: 598.18
• IUPAC Name: (3E)-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
• SMILES: CC(NC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(Oc3ccccc3)c1)CC2)c1noc(-c2ccc(Cl)cc2)n1
• InChI: InChI=1S/C36H27ClN4O3/c1-22(34-40-36(44-41-34)24-14-17-26(37)18-15-24)38-35(42)32-29-12-5-6-13-31(29)39-33-25(16-19-30(32)33)20-23-8-7-11-28(21-23)43-27-9-3-2-4-10-27/h2-15,17-18,20-22H,16,19H2,1H3,(H,38,42)/b25-20+
• InChIKey: MWOBURIWSZUXEC-LKUDQCMESA-N
• XLogP: 8.71
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.09
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3E)-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?

The IUPAC name of (3E)-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (CID 166387191) is (3E)-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.

What is the SMILES notation for (3E)-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?

The canonical SMILES for (3E)-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is CC(NC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(Oc3ccccc3)c1)CC2)c1noc(-c2ccc(Cl)cc2)n1.

What is the InChIKey of (3E)-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?

The InChIKey is MWOBURIWSZUXEC-LKUDQCMESA-N. The full InChI is InChI=1S/C36H27ClN4O3/c1-22(34-40-36(44-41-34)24-14-17-26(37)18-15-24)38-35(42)32-29-12-5-6-13-31(29)39-33-25(16-19-30(32)33)20-23-8-7-11-28(21-23)43-27-9-3-2-4-10-27/h2-15,17-18,20-22H,16,19H2,1H3,(H,38,42)/b25-20+.

What are the key properties of (3E)-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?

(3E)-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide has a molecular weight of 599.09 g/mol, XLogP of 8.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3E)-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 166387191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).