azetidin-1-yl-[3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methylpyrrolo[3,4-g]quinolin-5-yl]methanone

C23H20FN3O3 — CID 91048103

About azetidin-1-yl-[3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methylpyrrolo[3,4-g]quinolin-5-yl]methanone

azetidin-1-yl-[3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methylpyrrolo[3,4-g]quinolin-5-yl]methanone (PubChem CID 91048103) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is azetidin-1-yl-[3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methylpyrrolo[3,4-g]quinolin-5-yl]methanone.

Molecular Properties

• Compound Name: azetidin-1-yl-[3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methylpyrrolo[3,4-g]quinolin-5-yl]methanone
• PubChem CID: 91048103
• Molecular Formula: C23H20FN3O3
• Molecular Weight: 405.43 g/mol
• Exact Mass: 405.15
• IUPAC Name: azetidin-1-yl-[3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methylpyrrolo[3,4-g]quinolin-5-yl]methanone
• SMILES: Cn1cc2c(C(=O)N3CCC3)c3cc(Cc4ccc(F)cc4)cnc3c(O)c2c1O
• InChI: InChI=1S/C23H20FN3O3/c1-26-12-17-18(23(30)27-7-2-8-27)16-10-14(9-13-3-5-15(24)6-4-13)11-25-20(16)21(28)19(17)22(26)29/h3-6,10-12,28-29H,2,7-9H2,1H3
• InChIKey: MKNSDROGEPFBQQ-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 78.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.43
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methylpyrrolo[3,4-g]quinolin-5-yl]methanone?

The IUPAC name of azetidin-1-yl-[3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methylpyrrolo[3,4-g]quinolin-5-yl]methanone (CID 91048103) is azetidin-1-yl-[3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methylpyrrolo[3,4-g]quinolin-5-yl]methanone.

What is the SMILES notation for azetidin-1-yl-[3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methylpyrrolo[3,4-g]quinolin-5-yl]methanone?

The canonical SMILES for azetidin-1-yl-[3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methylpyrrolo[3,4-g]quinolin-5-yl]methanone is Cn1cc2c(C(=O)N3CCC3)c3cc(Cc4ccc(F)cc4)cnc3c(O)c2c1O.

What is the InChIKey of azetidin-1-yl-[3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methylpyrrolo[3,4-g]quinolin-5-yl]methanone?

The InChIKey is MKNSDROGEPFBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-26-12-17-18(23(30)27-7-2-8-27)16-10-14(9-13-3-5-15(24)6-4-13)11-25-20(16)21(28)19(17)22(26)29/h3-6,10-12,28-29H,2,7-9H2,1H3.

What are the key properties of azetidin-1-yl-[3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methylpyrrolo[3,4-g]quinolin-5-yl]methanone?

azetidin-1-yl-[3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methylpyrrolo[3,4-g]quinolin-5-yl]methanone has a molecular weight of 405.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for azetidin-1-yl-[3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methylpyrrolo[3,4-g]quinolin-5-yl]methanone is sourced from PubChem (CID 91048103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).