9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid

C20H21N3O3 — CID 68547726

About 9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid

9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid (PubChem CID 68547726) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid.

Molecular Properties

• Compound Name: 9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid
• PubChem CID: 68547726
• Molecular Formula: C20H21N3O3
• Molecular Weight: 351.41 g/mol
• Exact Mass: 351.16
• IUPAC Name: 9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid
• SMILES: O=C(C1C=C2c3cccc4[nH]cc(c34)CC2N(C(=O)O)C1)N1CCCC1
• InChI: InChI=1S/C20H21N3O3/c24-19(22-6-1-2-7-22)13-8-15-14-4-3-5-16-18(14)12(10-21-16)9-17(15)23(11-13)20(25)26/h3-5,8,10,13,17,21H,1-2,6-7,9,11H2,(H,25,26)
• InChIKey: XUNXKKWCAYEPMC-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 76.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.41
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid?

The IUPAC name of 9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid (CID 68547726) is 9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid.

What is the SMILES notation for 9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid?

The canonical SMILES for 9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid is O=C(C1C=C2c3cccc4[nH]cc(c34)CC2N(C(=O)O)C1)N1CCCC1.

What is the InChIKey of 9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid?

The InChIKey is XUNXKKWCAYEPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-19(22-6-1-2-7-22)13-8-15-14-4-3-5-16-18(14)12(10-21-16)9-17(15)23(11-13)20(25)26/h3-5,8,10,13,17,21H,1-2,6-7,9,11H2,(H,25,26).

What are the key properties of 9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid?

9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid has a molecular weight of 351.41 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid is sourced from PubChem (CID 68547726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).