3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid

C17H19NO3 — CID 43621049

About 3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid

3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 43621049) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

• Compound Name: 3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid
• PubChem CID: 43621049
• Molecular Formula: C17H19NO3
• Molecular Weight: 285.34 g/mol
• Exact Mass: 285.14
• IUPAC Name: 3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid
• SMILES: Cc1cc(CN2c3ccccc3CCC2C)oc1C(=O)O
• InChI: InChI=1S/C17H19NO3/c1-11-9-14(21-16(11)17(19)20)10-18-12(2)7-8-13-5-3-4-6-15(13)18/h3-6,9,12H,7-8,10H2,1-2H3,(H,19,20)
• InChIKey: BTPGHSAHCAOFBS-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 53.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.34
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid?

The IUPAC name of 3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid (CID 43621049) is 3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid.

What is the SMILES notation for 3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid?

The canonical SMILES for 3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid is Cc1cc(CN2c3ccccc3CCC2C)oc1C(=O)O.

What is the InChIKey of 3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid?

The InChIKey is BTPGHSAHCAOFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-9-14(21-16(11)17(19)20)10-18-12(2)7-8-13-5-3-4-6-15(13)18/h3-6,9,12H,7-8,10H2,1-2H3,(H,19,20).

What are the key properties of 3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid?

3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 43621049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).