methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-(1-hydroxy-1-phenylpropyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate

C204H247F2N23O30 — CID 165067652

IUPACmethyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-(1-hydroxy-1-phenylpropyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
SMILESCCC(O)(c1ccccc1)c1nc2c3c(ccc2n1[C@@H]1CCC[C@@H](C(C)=O)C1)N(C(=O)OC)[C@@H](C)CC3.COC(=O)N1c2ccc3c(nc([C@@](C)(O)c4cc(F)ccc4OC)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc([C@@](C)(O)c4ccccc4)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc([C@@](C)(O)c4ccccn4)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc([C@](C)(O)c4cc(F)ccc4OC)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc([C@](C)(O)c4ccccc4)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc([C@](C)(O)c4ccccn4)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C
InChIInChI=1S/2C30H36FN3O5.C30H37N3O4.2C29H35N3O4.2C28H34N4O4/c2*1-17-9-11-22-24(33(17)29(36)39-5)12-13-25-27(22)32-28(34(25)21-8-6-7-19(15-21)18(2)35)30(3,37)23-16-20(31)10-14-26(23)38-4;1-5-30(36,22-11-7-6-8-12-22)28-31-27-24-15-14-19(2)32(29(35)37-4)25(24)16-17-26(27)33(28)23-13-9-10-21(18-23)20(3)34;2*1-18-13-14-23-24(31(18)28(34)36-4)15-16-25-26(23)30-27(29(3,35)21-10-6-5-7-11-21)32(25)22-12-8-9-20(17-22)19(2)33;2*1-17-11-12-21-22(31(17)27(34)36-4)13-14-23-25(21)30-26(28(3,35)24-10-5-6-15-29-24)32(23)20-9-7-8-19(16-20)18(2)33/h2*10,12-14,16-17,19,21,37H,6-9,11,15H2,1-5H3;6-8,11-12,16-17,19,21,23,36H,5,9-10,13-15,18H2,1-4H3;2*5-7,10-11,15-16,18,20,22,35H,8-9,12-14,17H2,1-4H3;2*5-6,10,13-15,17,19-20,35H,7-9,11-12,16H2,1-4H3/t17-,19+,21+,30+;17-,19+,21+,30-;19-,21+,23+,30?;18-,20+,22+,29+;18-,20+,22+,29-;17-,19+,20+,28+;17-,19+,20+,28-/m0000000/s1
InChIKeySFUDXIGLCICRHL-WHJXBPCJSA-N
MW3539.35 g/mol
LogP38.11
Rot. Bonds31

About methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-(1-hydroxy-1-phenylpropyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate

methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-(1-hydroxy-1-phenylpropyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (PubChem CID 165067652) has the molecular formula C204H247F2N23O30 and a molecular weight of 3539.35 g/mol. Its IUPAC name is methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-(1-hydroxy-1-phenylpropyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-(1-hydroxy-1-phenylpropyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
PubChem CID165067652
Molecular FormulaC204H247F2N23O30
Molecular Weight3539.35 g/mol
Exact Mass3536.85
IUPAC Namemethyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-(1-hydroxy-1-phenylpropyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
SMILESCCC(O)(c1ccccc1)c1nc2c3c(ccc2n1[C@@H]1CCC[C@@H](C(C)=O)C1)N(C(=O)OC)[C@@H](C)CC3.COC(=O)N1c2ccc3c(nc([C@@](C)(O)c4cc(F)ccc4OC)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc([C@@](C)(O)c4ccccc4)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc([C@@](C)(O)c4ccccn4)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc([C@](C)(O)c4cc(F)ccc4OC)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc([C@](C)(O)c4ccccc4)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc([C@](C)(O)c4ccccn4)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C
InChIInChI=1S/2C30H36FN3O5.C30H37N3O4.2C29H35N3O4.2C28H34N4O4/c2*1-17-9-11-22-24(33(17)29(36)39-5)12-13-25-27(22)32-28(34(25)21-8-6-7-19(15-21)18(2)35)30(3,37)23-16-20(31)10-14-26(23)38-4;1-5-30(36,22-11-7-6-8-12-22)28-31-27-24-15-14-19(2)32(29(35)37-4)25(24)16-17-26(27)33(28)23-13-9-10-21(18-23)20(3)34;2*1-18-13-14-23-24(31(18)28(34)36-4)15-16-25-26(23)30-27(29(3,35)21-10-6-5-7-11-21)32(25)22-12-8-9-20(17-22)19(2)33;2*1-17-11-12-21-22(31(17)27(34)36-4)13-14-23-25(21)30-26(28(3,35)24-10-5-6-15-29-24)32(23)20-9-7-8-19(16-20)18(2)33/h2*10,12-14,16-17,19,21,37H,6-9,11,15H2,1-5H3;6-8,11-12,16-17,19,21,23,36H,5,9-10,13-15,18H2,1-4H3;2*5-7,10-11,15-16,18,20,22,35H,8-9,12-14,17H2,1-4H3;2*5-6,10,13-15,17,19-20,35H,7-9,11-12,16H2,1-4H3/t17-,19+,21+,30+;17-,19+,21+,30-;19-,21+,23+,30?;18-,20+,22+,29+;18-,20+,22+,29-;17-,19+,20+,28+;17-,19+,20+,28-/m0000000/s1
InChIKeySFUDXIGLCICRHL-WHJXBPCJSA-N
XLogP38.11
TPSA636.86 Ų
H-Bond Donors7
H-Bond Acceptors46
Rotatable Bonds31
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003539.35
LogP ≤ 538.11
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1046

Analyze methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-(1-hydroxy-1-phenylpropyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-(1-hydroxy-1-phenylpropyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
The IUPAC name of methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-(1-hydroxy-1-phenylpropyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (CID 165067652) is methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-(1-hydroxy-1-phenylpropyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.
What is the SMILES notation for methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-(1-hydroxy-1-phenylpropyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
The canonical SMILES for methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-(1-hydroxy-1-phenylpropyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is CCC(O)(c1ccccc1)c1nc2c3c(ccc2n1[C@@H]1CCC[C@@H](C(C)=O)C1)N(C(=O)OC)[C@@H](C)CC3.COC(=O)N1c2ccc3c(nc([C@@](C)(O)c4cc(F)ccc4OC)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc([C@@](C)(O)c4ccccc4)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc([C@@](C)(O)c4ccccn4)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc([C@](C)(O)c4cc(F)ccc4OC)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc([C@](C)(O)c4ccccc4)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc([C@](C)(O)c4ccccn4)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.
What is the InChIKey of methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-(1-hydroxy-1-phenylpropyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
The InChIKey is SFUDXIGLCICRHL-WHJXBPCJSA-N. The full InChI is InChI=1S/2C30H36FN3O5.C30H37N3O4.2C29H35N3O4.2C28H34N4O4/c2*1-17-9-11-22-24(33(17)29(36)39-5)12-13-25-27(22)32-28(34(25)21-8-6-7-19(15-21)18(2)35)30(3,37)23-16-20(31)10-14-26(23)38-4;1-5-30(36,22-11-7-6-8-12-22)28-31-27-24-15-14-19(2)32(29(35)37-4)25(24)16-17-26(27)33(28)23-13-9-10-21(18-23)20(3)34;2*1-18-13-14-23-24(31(18)28(34)36-4)15-16-25-26(23)30-27(29(3,35)21-10-6-5-7-11-21)32(25)22-12-8-9-20(17-22)19(2)33;2*1-17-11-12-21-22(31(17)27(34)36-4)13-14-23-25(21)30-26(28(3,35)24-10-5-6-15-29-24)32(23)20-9-7-8-19(16-20)18(2)33/h2*10,12-14,16-17,19,21,37H,6-9,11,15H2,1-5H3;6-8,11-12,16-17,19,21,23,36H,5,9-10,13-15,18H2,1-4H3;2*5-7,10-11,15-16,18,20,22,35H,8-9,12-14,17H2,1-4H3;2*5-6,10,13-15,17,19-20,35H,7-9,11-12,16H2,1-4H3/t17-,19+,21+,30+;17-,19+,21+,30-;19-,21+,23+,30?;18-,20+,22+,29+;18-,20+,22+,29-;17-,19+,20+,28+;17-,19+,20+,28-/m0000000/s1.
What are the key properties of methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-(1-hydroxy-1-phenylpropyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-(1-hydroxy-1-phenylpropyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate has a molecular weight of 3539.35 g/mol, XLogP of 38.11, 31 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-phenylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-(1-hydroxy-1-phenylpropyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is sourced from PubChem (CID 165067652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).