9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol

C21H19FN4O2 — CID 136649446

About 9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol

9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136649446) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

• Compound Name: 9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
• PubChem CID: 136649446
• Molecular Formula: C21H19FN4O2
• Molecular Weight: 378.41 g/mol
• Exact Mass: 378.15
• IUPAC Name: 9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
• SMILES: COc1ncccc1-c1c(F)ccc2c(N)c3c(O)n(C4CCC4)cc3nc12
• InChI: InChI=1S/C21H19FN4O2/c1-28-20-12(6-3-9-24-20)16-14(22)8-7-13-18(23)17-15(25-19(13)16)10-26(21(17)27)11-4-2-5-11/h3,6-11,27H,2,4-5,23H2,1H3
• InChIKey: FEWWJIIIFRCIES-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 86.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.41
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?

The IUPAC name of 9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol (CID 136649446) is 9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol.

What is the SMILES notation for 9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?

The canonical SMILES for 9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol is COc1ncccc1-c1c(F)ccc2c(N)c3c(O)n(C4CCC4)cc3nc12.

What is the InChIKey of 9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?

The InChIKey is FEWWJIIIFRCIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-28-20-12(6-3-9-24-20)16-14(22)8-7-13-18(23)17-15(25-19(13)16)10-26(21(17)27)11-4-2-5-11/h3,6-11,27H,2,4-5,23H2,1H3.

What are the key properties of 9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol?

9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 378.41 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136649446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).