N-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]cyclobutanamine

C30H32FN3O2 — CID 69473938

About N-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]cyclobutanamine

N-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]cyclobutanamine (PubChem CID 69473938) has the molecular formula C30H32FN3O2 and a molecular weight of 485.60 g/mol. Its IUPAC name is N-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]cyclobutanamine.

Molecular Properties

• Compound Name: N-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]cyclobutanamine
• PubChem CID: 69473938
• Molecular Formula: C30H32FN3O2
• Molecular Weight: 485.60 g/mol
• Exact Mass: 485.25
• IUPAC Name: N-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]cyclobutanamine
• SMILES: Cc1ccc2c3c(ccc2n1)OCC(CN(CC1CCc2[nH]c4ccc(F)cc4c2C1)C1CCC1)O3
• InChI: InChI=1S/C30H32FN3O2/c1-18-5-8-23-26(32-18)11-12-29-30(23)36-22(17-35-29)16-34(21-3-2-4-21)15-19-6-9-27-24(13-19)25-14-20(31)7-10-28(25)33-27/h5,7-8,10-12,14,19,21-22,33H,2-4,6,9,13,15-17H2,1H3
• InChIKey: ZNQIGTJQBHTCOO-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 50.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.60
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]cyclobutanamine?

The IUPAC name of N-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]cyclobutanamine (CID 69473938) is N-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]cyclobutanamine.

What is the SMILES notation for N-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]cyclobutanamine?

The canonical SMILES for N-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]cyclobutanamine is Cc1ccc2c3c(ccc2n1)OCC(CN(CC1CCc2[nH]c4ccc(F)cc4c2C1)C1CCC1)O3.

What is the InChIKey of N-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]cyclobutanamine?

The InChIKey is ZNQIGTJQBHTCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O2/c1-18-5-8-23-26(32-18)11-12-29-30(23)36-22(17-35-29)16-34(21-3-2-4-21)15-19-6-9-27-24(13-19)25-14-20(31)7-10-28(25)33-27/h5,7-8,10-12,14,19,21-22,33H,2-4,6,9,13,15-17H2,1H3.

What are the key properties of N-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]cyclobutanamine?

N-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]cyclobutanamine has a molecular weight of 485.60 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]cyclobutanamine is sourced from PubChem (CID 69473938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).