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

C28H23N5O2 — CID 11248201

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

3-(2,3-dihydro-1-benzofuran-5-yl)-2-[5-(3-methylimidazol-4-yl)-2-pyridinyl]-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (PubChem CID 11248201) has the molecular formula C28H23N5O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-2-[5-(3-methylimidazol-4-yl)-2-pyridinyl]-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1-benzofuran-5-yl)-2-[5-(3-methylimidazol-4-yl)-2-pyridinyl]-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
• PubChem CID: 11248201
• Molecular Formula: C28H23N5O2
• Molecular Weight: 461.53 g/mol
• Exact Mass: 461.19
• IUPAC Name: 3-(2,3-dihydro-1-benzofuran-5-yl)-2-[5-(3-methylimidazol-4-yl)-2-pyridinyl]-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
• SMILES: Cn1cncc1-c1ccc(N2Cc3c([nH]c4ccccc4c3=O)C2c2ccc3c(c2)CCO3)nc1
• InChI: InChI=1S/C28H23N5O2/c1-32-16-29-14-23(32)19-7-9-25(30-13-19)33-15-21-26(31-22-5-3-2-4-20(22)28(21)34)27(33)18-6-8-24-17(12-18)10-11-35-24/h2-9,12-14,16,27H,10-11,15H2,1H3,(H,31,34)
• InChIKey: LZIMQRPTGQTCJP-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 76.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.53
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-2-[5-(3-methylimidazol-4-yl)-2-pyridinyl]-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (CID 11248201) is 3-(2,3-dihydro-1-benzofuran-5-yl)-2-[5-(3-methylimidazol-4-yl)-2-pyridinyl]-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.

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

The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-2-[5-(3-methylimidazol-4-yl)-2-pyridinyl]-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is Cn1cncc1-c1ccc(N2Cc3c([nH]c4ccccc4c3=O)C2c2ccc3c(c2)CCO3)nc1.

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

The InChIKey is LZIMQRPTGQTCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O2/c1-32-16-29-14-23(32)19-7-9-25(30-13-19)33-15-21-26(31-22-5-3-2-4-20(22)28(21)34)27(33)18-6-8-24-17(12-18)10-11-35-24/h2-9,12-14,16,27H,10-11,15H2,1H3,(H,31,34).

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

3-(2,3-dihydro-1-benzofuran-5-yl)-2-[5-(3-methylimidazol-4-yl)-2-pyridinyl]-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one has a molecular weight of 461.53 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-2-[5-(3-methylimidazol-4-yl)-2-pyridinyl]-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is sourced from PubChem (CID 11248201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).