4-(2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl)benzoic acid

C24H21NO2 — CID 58190109

About 4-(2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl)benzoic acid

4-(2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl)benzoic acid (PubChem CID 58190109) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl)benzoic acid.

Molecular Properties

• Compound Name: 4-(2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl)benzoic acid
• PubChem CID: 58190109
• Molecular Formula: C24H21NO2
• Molecular Weight: 355.44 g/mol
• Exact Mass: 355.16
• IUPAC Name: 4-(2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl)benzoic acid
• SMILES: Cc1ccc2c(c1)C1c3ccccc3CC1C(c1ccc(C(=O)O)cc1)N2
• InChI: InChI=1S/C24H21NO2/c1-14-6-11-21-19(12-14)22-18-5-3-2-4-17(18)13-20(22)23(25-21)15-7-9-16(10-8-15)24(26)27/h2-12,20,22-23,25H,13H2,1H3,(H,26,27)
• InChIKey: YKPIJAPZNJKKMZ-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 49.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	355.44
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl)benzoic acid?

The IUPAC name of 4-(2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl)benzoic acid (CID 58190109) is 4-(2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl)benzoic acid.

What is the SMILES notation for 4-(2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl)benzoic acid?

The canonical SMILES for 4-(2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl)benzoic acid is Cc1ccc2c(c1)C1c3ccccc3CC1C(c1ccc(C(=O)O)cc1)N2.

What is the InChIKey of 4-(2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl)benzoic acid?

The InChIKey is YKPIJAPZNJKKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-14-6-11-21-19(12-14)22-18-5-3-2-4-17(18)13-20(22)23(25-21)15-7-9-16(10-8-15)24(26)27/h2-12,20,22-23,25H,13H2,1H3,(H,26,27).

What are the key properties of 4-(2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl)benzoic acid?

4-(2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl)benzoic acid has a molecular weight of 355.44 g/mol, XLogP of 5.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl)benzoic acid is sourced from PubChem (CID 58190109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).