6-(3-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboxylic acid

C23H18ClNO2 — CID 2945284

About 6-(3-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboxylic acid

6-(3-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboxylic acid (PubChem CID 2945284) has the molecular formula C23H18ClNO2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-(3-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboxylic acid
• PubChem CID: 2945284
• Molecular Formula: C23H18ClNO2
• Molecular Weight: 375.86 g/mol
• Exact Mass: 375.10
• IUPAC Name: 6-(3-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboxylic acid
• SMILES: O=C(O)c1ccc2c(c1)C1c3ccccc3CC1C(c1cccc(Cl)c1)N2
• InChI: InChI=1S/C23H18ClNO2/c24-16-6-3-5-14(10-16)22-19-11-13-4-1-2-7-17(13)21(19)18-12-15(23(26)27)8-9-20(18)25-22/h1-10,12,19,21-22,25H,11H2,(H,26,27)
• InChIKey: NBAJKPYUEOYRKT-UHFFFAOYSA-N
• XLogP: 5.51
• 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	375.86
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboxylic acid?

The IUPAC name of 6-(3-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboxylic acid (CID 2945284) is 6-(3-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboxylic acid.

What is the SMILES notation for 6-(3-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboxylic acid?

The canonical SMILES for 6-(3-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboxylic acid is O=C(O)c1ccc2c(c1)C1c3ccccc3CC1C(c1cccc(Cl)c1)N2.

What is the InChIKey of 6-(3-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboxylic acid?

The InChIKey is NBAJKPYUEOYRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO2/c24-16-6-3-5-14(10-16)22-19-11-13-4-1-2-7-17(13)21(19)18-12-15(23(26)27)8-9-20(18)25-22/h1-10,12,19,21-22,25H,11H2,(H,26,27).

What are the key properties of 6-(3-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboxylic acid?

6-(3-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboxylic acid has a molecular weight of 375.86 g/mol, XLogP of 5.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboxylic acid is sourced from PubChem (CID 2945284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).