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

C26H35N5O4 — CID 167089884

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

4-[(7S)-6-[hydroxy(methoxy)methyl]-7-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid (PubChem CID 167089884) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is 4-[(7S)-6-[hydroxy(methoxy)methyl]-7-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[(7S)-6-[hydroxy(methoxy)methyl]-7-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid
• PubChem CID: 167089884
• Molecular Formula: C26H35N5O4
• Molecular Weight: 481.60 g/mol
• Exact Mass: 481.27
• IUPAC Name: 4-[(7S)-6-[hydroxy(methoxy)methyl]-7-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid
• SMILES: COC(O)N1c2ccc3c(nc(CCc4ccn(C)n4)n3C3CCC(C(=O)O)CC3)c2CC[C@@H]1C
• InChI: InChI=1S/C26H35N5O4/c1-16-4-10-20-21(30(16)26(34)35-3)11-12-22-24(20)27-23(13-7-18-14-15-29(2)28-18)31(22)19-8-5-17(6-9-19)25(32)33/h11-12,14-17,19,26,34H,4-10,13H2,1-3H3,(H,32,33)/t16-,17?,19?,26?/m0/s1
• InChIKey: FEKMBGICBVSEPX-SXWHCCASSA-N
• XLogP: 3.43
• TPSA: 105.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.60
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-[(7S)-6-[hydroxy(methoxy)methyl]-7-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid (CID 167089884) is 4-[(7S)-6-[hydroxy(methoxy)methyl]-7-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid.

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

The canonical SMILES for 4-[(7S)-6-[hydroxy(methoxy)methyl]-7-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid is COC(O)N1c2ccc3c(nc(CCc4ccn(C)n4)n3C3CCC(C(=O)O)CC3)c2CC[C@@H]1C.

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

The InChIKey is FEKMBGICBVSEPX-SXWHCCASSA-N. The full InChI is InChI=1S/C26H35N5O4/c1-16-4-10-20-21(30(16)26(34)35-3)11-12-22-24(20)27-23(13-7-18-14-15-29(2)28-18)31(22)19-8-5-17(6-9-19)25(32)33/h11-12,14-17,19,26,34H,4-10,13H2,1-3H3,(H,32,33)/t16-,17?,19?,26?/m0/s1.

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

4-[(7S)-6-[hydroxy(methoxy)methyl]-7-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid has a molecular weight of 481.60 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(7S)-6-[hydroxy(methoxy)methyl]-7-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 167089884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).