4-[6-methoxycarbonyl-7-methyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid

C26H33N5O4 — CID 174210932

About 4-[6-methoxycarbonyl-7-methyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid

4-[6-methoxycarbonyl-7-methyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid (PubChem CID 174210932) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is 4-[6-methoxycarbonyl-7-methyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[6-methoxycarbonyl-7-methyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid
• PubChem CID: 174210932
• Molecular Formula: C26H33N5O4
• Molecular Weight: 479.58 g/mol
• Exact Mass: 479.25
• IUPAC Name: 4-[6-methoxycarbonyl-7-methyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid
• SMILES: COC(=O)N1c2ccc3c(nc(CCn4ccc(C)n4)n3C3CCC(C(=O)O)CC3)c2CCC1C
• InChI: InChI=1S/C26H33N5O4/c1-16-12-14-29(28-16)15-13-23-27-24-20-9-4-17(2)30(26(34)35-3)21(20)10-11-22(24)31(23)19-7-5-18(6-8-19)25(32)33/h10-12,14,17-19H,4-9,13,15H2,1-3H3,(H,32,33)
• InChIKey: YNDBALIXNZNVFE-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 102.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.58
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxycarbonyl-7-methyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid?

The IUPAC name of 4-[6-methoxycarbonyl-7-methyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid (CID 174210932) is 4-[6-methoxycarbonyl-7-methyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid.

What is the SMILES notation for 4-[6-methoxycarbonyl-7-methyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid?

The canonical SMILES for 4-[6-methoxycarbonyl-7-methyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid is COC(=O)N1c2ccc3c(nc(CCn4ccc(C)n4)n3C3CCC(C(=O)O)CC3)c2CCC1C.

What is the InChIKey of 4-[6-methoxycarbonyl-7-methyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid?

The InChIKey is YNDBALIXNZNVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-16-12-14-29(28-16)15-13-23-27-24-20-9-4-17(2)30(26(34)35-3)21(20)10-11-22(24)31(23)19-7-5-18(6-8-19)25(32)33/h10-12,14,17-19H,4-9,13,15H2,1-3H3,(H,32,33).

What are the key properties of 4-[6-methoxycarbonyl-7-methyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid?

4-[6-methoxycarbonyl-7-methyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid has a molecular weight of 479.58 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-methoxycarbonyl-7-methyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 174210932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).