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

C25H31N5O5 — CID 174211379

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

4-[6-methoxycarbonyl-7-methyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid (PubChem CID 174211379) has the molecular formula C25H31N5O5 and a molecular weight of 481.55 g/mol. Its IUPAC name is 4-[6-methoxycarbonyl-7-methyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-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-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid
• PubChem CID: 174211379
• Molecular Formula: C25H31N5O5
• Molecular Weight: 481.55 g/mol
• Exact Mass: 481.23
• IUPAC Name: 4-[6-methoxycarbonyl-7-methyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid
• SMILES: COC(=O)N1c2ccc3c(nc(CCc4nnc(C)o4)n3C3CCC(C(=O)O)CC3)c2CCC1C
• InChI: InChI=1S/C25H31N5O5/c1-14-4-9-18-19(29(14)25(33)34-3)10-11-20-23(18)26-21(12-13-22-28-27-15(2)35-22)30(20)17-7-5-16(6-8-17)24(31)32/h10-11,14,16-17H,4-9,12-13H2,1-3H3,(H,31,32)
• InChIKey: PBEIVHYDMPOPJW-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 123.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.55
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxycarbonyl-7-methyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-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-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid (CID 174211379) is 4-[6-methoxycarbonyl-7-methyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-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-(5-methyl-1,3,4-oxadiazol-2-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-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid is COC(=O)N1c2ccc3c(nc(CCc4nnc(C)o4)n3C3CCC(C(=O)O)CC3)c2CCC1C.

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

The InChIKey is PBEIVHYDMPOPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O5/c1-14-4-9-18-19(29(14)25(33)34-3)10-11-20-23(18)26-21(12-13-22-28-27-15(2)35-22)30(20)17-7-5-16(6-8-17)24(31)32/h10-11,14,16-17H,4-9,12-13H2,1-3H3,(H,31,32).

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

4-[6-methoxycarbonyl-7-methyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid has a molecular weight of 481.55 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-methoxycarbonyl-7-methyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 174211379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).