1-cinnolin-6-yl-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one

C21H18N4O2 — CID 166784533

About 1-cinnolin-6-yl-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one

1-cinnolin-6-yl-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one (PubChem CID 166784533) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-cinnolin-6-yl-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one.

Molecular Properties

• Compound Name: 1-cinnolin-6-yl-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
• PubChem CID: 166784533
• Molecular Formula: C21H18N4O2
• Molecular Weight: 358.40 g/mol
• Exact Mass: 358.14
• IUPAC Name: 1-cinnolin-6-yl-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
• SMILES: Cc1cc2c(cc1C)C(=O)C1(O)CCN(c3ccc4nnccc4c3)C1=N2
• InChI: InChI=1S/C21H18N4O2/c1-12-9-16-18(10-13(12)2)23-20-21(27,19(16)26)6-8-25(20)15-3-4-17-14(11-15)5-7-22-24-17/h3-5,7,9-11,27H,6,8H2,1-2H3
• InChIKey: AHOLRGMSSFWJKS-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 78.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.40
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cinnolin-6-yl-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one?

The IUPAC name of 1-cinnolin-6-yl-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one (CID 166784533) is 1-cinnolin-6-yl-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one.

What is the SMILES notation for 1-cinnolin-6-yl-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one?

The canonical SMILES for 1-cinnolin-6-yl-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one is Cc1cc2c(cc1C)C(=O)C1(O)CCN(c3ccc4nnccc4c3)C1=N2.

What is the InChIKey of 1-cinnolin-6-yl-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one?

The InChIKey is AHOLRGMSSFWJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-12-9-16-18(10-13(12)2)23-20-21(27,19(16)26)6-8-25(20)15-3-4-17-14(11-15)5-7-22-24-17/h3-5,7,9-11,27H,6,8H2,1-2H3.

What are the key properties of 1-cinnolin-6-yl-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one?

1-cinnolin-6-yl-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one has a molecular weight of 358.40 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cinnolin-6-yl-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one is sourced from PubChem (CID 166784533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).