(6-fluoro-3-azabicyclo[3.1.0]hexan-3-yl)-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanone

C21H22FN3O — CID 170723200

About (6-fluoro-3-azabicyclo[3.1.0]hexan-3-yl)-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanone

(6-fluoro-3-azabicyclo[3.1.0]hexan-3-yl)-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanone (PubChem CID 170723200) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is (6-fluoro-3-azabicyclo[3.1.0]hexan-3-yl)-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanone.

Molecular Properties

• Compound Name: (6-fluoro-3-azabicyclo[3.1.0]hexan-3-yl)-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanone
• PubChem CID: 170723200
• Molecular Formula: C21H22FN3O
• Molecular Weight: 351.43 g/mol
• Exact Mass: 351.17
• IUPAC Name: (6-fluoro-3-azabicyclo[3.1.0]hexan-3-yl)-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanone
• SMILES: CN1CC(C(=O)N2CC3C(F)C3C2)C=C2c3cccc4[nH]cc(c34)CC21
• InChI: InChI=1S/C21H22FN3O/c1-24-8-12(21(26)25-9-15-16(10-25)20(15)22)5-14-13-3-2-4-17-19(13)11(7-23-17)6-18(14)24/h2-5,7,12,15-16,18,20,23H,6,8-10H2,1H3
• InChIKey: JASNCINNMUJCRF-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 39.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.43
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-azabicyclo[3.1.0]hexan-3-yl)-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanone?

The IUPAC name of (6-fluoro-3-azabicyclo[3.1.0]hexan-3-yl)-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanone (CID 170723200) is (6-fluoro-3-azabicyclo[3.1.0]hexan-3-yl)-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanone.

What is the SMILES notation for (6-fluoro-3-azabicyclo[3.1.0]hexan-3-yl)-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanone?

The canonical SMILES for (6-fluoro-3-azabicyclo[3.1.0]hexan-3-yl)-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanone is CN1CC(C(=O)N2CC3C(F)C3C2)C=C2c3cccc4[nH]cc(c34)CC21.

What is the InChIKey of (6-fluoro-3-azabicyclo[3.1.0]hexan-3-yl)-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanone?

The InChIKey is JASNCINNMUJCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-24-8-12(21(26)25-9-15-16(10-25)20(15)22)5-14-13-3-2-4-17-19(13)11(7-23-17)6-18(14)24/h2-5,7,12,15-16,18,20,23H,6,8-10H2,1H3.

What are the key properties of (6-fluoro-3-azabicyclo[3.1.0]hexan-3-yl)-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanone?

(6-fluoro-3-azabicyclo[3.1.0]hexan-3-yl)-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanone has a molecular weight of 351.43 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (6-fluoro-3-azabicyclo[3.1.0]hexan-3-yl)-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanone is sourced from PubChem (CID 170723200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).