2-[5-(3-benzylimidazol-4-yl)-2-pyridinyl]-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one

C34H27N5O2 — CID 11410087

About 2-[5-(3-benzylimidazol-4-yl)-2-pyridinyl]-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one

2-[5-(3-benzylimidazol-4-yl)-2-pyridinyl]-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (PubChem CID 11410087) has the molecular formula C34H27N5O2 and a molecular weight of 537.62 g/mol. Its IUPAC name is 2-[5-(3-benzylimidazol-4-yl)-2-pyridinyl]-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.

Molecular Properties

• Compound Name: 2-[5-(3-benzylimidazol-4-yl)-2-pyridinyl]-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
• PubChem CID: 11410087
• Molecular Formula: C34H27N5O2
• Molecular Weight: 537.62 g/mol
• Exact Mass: 537.22
• IUPAC Name: 2-[5-(3-benzylimidazol-4-yl)-2-pyridinyl]-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
• SMILES: O=c1c2c([nH]c3ccccc13)C(c1ccc3c(c1)CCO3)N(c1ccc(-c3cncn3Cc3ccccc3)cn1)C2
• InChI: InChI=1S/C34H27N5O2/c40-34-26-8-4-5-9-28(26)37-32-27(34)20-39(33(32)24-10-12-30-23(16-24)14-15-41-30)31-13-11-25(17-36-31)29-18-35-21-38(29)19-22-6-2-1-3-7-22/h1-13,16-18,21,33H,14-15,19-20H2,(H,37,40)
• InChIKey: YFJZTISMEVURGQ-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 76.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.62
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-benzylimidazol-4-yl)-2-pyridinyl]-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?

The IUPAC name of 2-[5-(3-benzylimidazol-4-yl)-2-pyridinyl]-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (CID 11410087) is 2-[5-(3-benzylimidazol-4-yl)-2-pyridinyl]-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.

What is the SMILES notation for 2-[5-(3-benzylimidazol-4-yl)-2-pyridinyl]-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?

The canonical SMILES for 2-[5-(3-benzylimidazol-4-yl)-2-pyridinyl]-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is O=c1c2c([nH]c3ccccc13)C(c1ccc3c(c1)CCO3)N(c1ccc(-c3cncn3Cc3ccccc3)cn1)C2.

What is the InChIKey of 2-[5-(3-benzylimidazol-4-yl)-2-pyridinyl]-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?

The InChIKey is YFJZTISMEVURGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N5O2/c40-34-26-8-4-5-9-28(26)37-32-27(34)20-39(33(32)24-10-12-30-23(16-24)14-15-41-30)31-13-11-25(17-36-31)29-18-35-21-38(29)19-22-6-2-1-3-7-22/h1-13,16-18,21,33H,14-15,19-20H2,(H,37,40).

What are the key properties of 2-[5-(3-benzylimidazol-4-yl)-2-pyridinyl]-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?

2-[5-(3-benzylimidazol-4-yl)-2-pyridinyl]-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one has a molecular weight of 537.62 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(3-benzylimidazol-4-yl)-2-pyridinyl]-3-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is sourced from PubChem (CID 11410087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).