(5-methyl-1,2-oxazol-3-yl)methyl (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

C25H20N2O3 — CID 7604972

About (5-methyl-1,2-oxazol-3-yl)methyl (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

(5-methyl-1,2-oxazol-3-yl)methyl (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate (PubChem CID 7604972) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

• Compound Name: (5-methyl-1,2-oxazol-3-yl)methyl (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
• PubChem CID: 7604972
• Molecular Formula: C25H20N2O3
• Molecular Weight: 396.45 g/mol
• Exact Mass: 396.15
• IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
• SMILES: Cc1cc(COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2)CC3)no1
• InChI: InChI=1S/C25H20N2O3/c1-16-13-19(27-30-16)15-29-25(28)23-20-9-5-6-10-22(20)26-24-18(11-12-21(23)24)14-17-7-3-2-4-8-17/h2-10,13-14H,11-12,15H2,1H3/b18-14+
• InChIKey: UTUACWUFKLQPDE-NBVRZTHBSA-N
• XLogP: 5.38
• TPSA: 65.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?

The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate (CID 7604972) is (5-methyl-1,2-oxazol-3-yl)methyl (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate.

What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?

The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is Cc1cc(COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2)CC3)no1.

What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?

The InChIKey is UTUACWUFKLQPDE-NBVRZTHBSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-16-13-19(27-30-16)15-29-25(28)23-20-9-5-6-10-22(20)26-24-18(11-12-21(23)24)14-17-7-3-2-4-8-17/h2-10,13-14H,11-12,15H2,1H3/b18-14+.

What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?

(5-methyl-1,2-oxazol-3-yl)methyl (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate has a molecular weight of 396.45 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-1,2-oxazol-3-yl)methyl (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 7604972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).