methyl (7S)-3-(2-azaspiro[3.5]nonan-7-yl)-2-[1-(3,4-difluorophenyl)propan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate

C30H36F2N4O2 — CID 146775313

About methyl (7S)-3-(2-azaspiro[3.5]nonan-7-yl)-2-[1-(3,4-difluorophenyl)propan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate

methyl (7S)-3-(2-azaspiro[3.5]nonan-7-yl)-2-[1-(3,4-difluorophenyl)propan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (PubChem CID 146775313) has the molecular formula C30H36F2N4O2 and a molecular weight of 522.64 g/mol. Its IUPAC name is methyl (7S)-3-(2-azaspiro[3.5]nonan-7-yl)-2-[1-(3,4-difluorophenyl)propan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

Molecular Properties

• Compound Name: methyl (7S)-3-(2-azaspiro[3.5]nonan-7-yl)-2-[1-(3,4-difluorophenyl)propan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
• PubChem CID: 146775313
• Molecular Formula: C30H36F2N4O2
• Molecular Weight: 522.64 g/mol
• Exact Mass: 522.28
• IUPAC Name: methyl (7S)-3-(2-azaspiro[3.5]nonan-7-yl)-2-[1-(3,4-difluorophenyl)propan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
• SMILES: COC(=O)N1c2ccc3c(nc(C(C)Cc4ccc(F)c(F)c4)n3C3CCC4(CC3)CNC4)c2CC[C@@H]1C
• InChI: InChI=1S/C30H36F2N4O2/c1-18(14-20-5-7-23(31)24(32)15-20)28-34-27-22-6-4-19(2)35(29(37)38-3)25(22)8-9-26(27)36(28)21-10-12-30(13-11-21)16-33-17-30/h5,7-9,15,18-19,21,33H,4,6,10-14,16-17H2,1-3H3/t18?,19-/m0/s1
• InChIKey: RSPLKXLEIPCXMI-GGYWPGCISA-N
• XLogP: 6.27
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.64
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl (7S)-3-(2-azaspiro[3.5]nonan-7-yl)-2-[1-(3,4-difluorophenyl)propan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

The IUPAC name of methyl (7S)-3-(2-azaspiro[3.5]nonan-7-yl)-2-[1-(3,4-difluorophenyl)propan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (CID 146775313) is methyl (7S)-3-(2-azaspiro[3.5]nonan-7-yl)-2-[1-(3,4-difluorophenyl)propan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

What is the SMILES notation for methyl (7S)-3-(2-azaspiro[3.5]nonan-7-yl)-2-[1-(3,4-difluorophenyl)propan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

The canonical SMILES for methyl (7S)-3-(2-azaspiro[3.5]nonan-7-yl)-2-[1-(3,4-difluorophenyl)propan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is COC(=O)N1c2ccc3c(nc(C(C)Cc4ccc(F)c(F)c4)n3C3CCC4(CC3)CNC4)c2CC[C@@H]1C.

What is the InChIKey of methyl (7S)-3-(2-azaspiro[3.5]nonan-7-yl)-2-[1-(3,4-difluorophenyl)propan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

The InChIKey is RSPLKXLEIPCXMI-GGYWPGCISA-N. The full InChI is InChI=1S/C30H36F2N4O2/c1-18(14-20-5-7-23(31)24(32)15-20)28-34-27-22-6-4-19(2)35(29(37)38-3)25(22)8-9-26(27)36(28)21-10-12-30(13-11-21)16-33-17-30/h5,7-9,15,18-19,21,33H,4,6,10-14,16-17H2,1-3H3/t18?,19-/m0/s1.

What are the key properties of methyl (7S)-3-(2-azaspiro[3.5]nonan-7-yl)-2-[1-(3,4-difluorophenyl)propan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

methyl (7S)-3-(2-azaspiro[3.5]nonan-7-yl)-2-[1-(3,4-difluorophenyl)propan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate has a molecular weight of 522.64 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (7S)-3-(2-azaspiro[3.5]nonan-7-yl)-2-[1-(3,4-difluorophenyl)propan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is sourced from PubChem (CID 146775313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).