[2-(2-aminoethoxy)-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinolin-2-yl]oxyhexan-3-one;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol

C119H104Cl8F2N14O9 — CID 158466539

About [2-(2-aminoethoxy)-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinolin-2-yl]oxyhexan-3-one;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol

[2-(2-aminoethoxy)-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinolin-2-yl]oxyhexan-3-one;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol (PubChem CID 158466539) has the molecular formula C119H104Cl8F2N14O9 and a molecular weight of 2195.85 g/mol. Its IUPAC name is [2-(2-aminoethoxy)-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinolin-2-yl]oxyhexan-3-one;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

• Compound Name: [2-(2-aminoethoxy)-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinolin-2-yl]oxyhexan-3-one;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
• PubChem CID: 158466539
• Molecular Formula: C119H104Cl8F2N14O9
• Molecular Weight: 2195.85 g/mol
• Exact Mass: 2190.56
• IUPAC Name: [2-(2-aminoethoxy)-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinolin-2-yl]oxyhexan-3-one;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
• SMILES: CCC(=O)CCCOc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.COCCN(C)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(OCC(C)(F)F)c(-c3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(OCCN)c(-c3ccccc3)c(Cl)c2c1
• InChI: InChI=1S/C32H29Cl2N3O3.C30H28Cl2N4O2.C29H23Cl2F2N3O2.C28H24Cl2N4O2/c1-3-25(38)10-7-17-40-31-29(21-8-5-4-6-9-21)30(34)26-18-23(13-16-27(26)36-31)32(39,28-19-35-20-37(28)2)22-11-14-24(33)15-12-22;1-35(15-16-38-3)29-27(20-7-5-4-6-8-20)28(32)24-17-22(11-14-25(24)34-29)30(37,26-18-33-19-36(26)2)21-9-12-23(31)13-10-21;1-28(32,33)16-38-27-25(18-6-4-3-5-7-18)26(31)22-14-20(10-13-23(22)35-27)29(37,24-15-34-17-36(24)2)19-8-11-21(30)12-9-19;1-34-17-32-16-24(34)28(35,19-7-10-21(29)11-8-19)20-9-12-23-22(15-20)26(30)25(18-5-3-2-4-6-18)27(33-23)36-14-13-31/h4-6,8-9,11-16,18-20,39H,3,7,10,17H2,1-2H3;4-14,17-19,37H,15-16H2,1-3H3;3-15,17,37H,16H2,1-2H3;2-12,15-17,35H,13-14,31H2,1H3
• InChIKey: HFUZBKZKUFUGJZ-UHFFFAOYSA-N
• XLogP: 26.50
• TPSA: 287.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 32
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2195.85
LogP ≤ 5	26.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethoxy)-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinolin-2-yl]oxyhexan-3-one;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?

The IUPAC name of [2-(2-aminoethoxy)-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinolin-2-yl]oxyhexan-3-one;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol (CID 158466539) is [2-(2-aminoethoxy)-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinolin-2-yl]oxyhexan-3-one;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol.

What is the SMILES notation for [2-(2-aminoethoxy)-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinolin-2-yl]oxyhexan-3-one;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?

The canonical SMILES for [2-(2-aminoethoxy)-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinolin-2-yl]oxyhexan-3-one;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol is CCC(=O)CCCOc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.COCCN(C)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(OCC(C)(F)F)c(-c3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(OCCN)c(-c3ccccc3)c(Cl)c2c1.

What is the InChIKey of [2-(2-aminoethoxy)-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinolin-2-yl]oxyhexan-3-one;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?

The InChIKey is HFUZBKZKUFUGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29Cl2N3O3.C30H28Cl2N4O2.C29H23Cl2F2N3O2.C28H24Cl2N4O2/c1-3-25(38)10-7-17-40-31-29(21-8-5-4-6-9-21)30(34)26-18-23(13-16-27(26)36-31)32(39,28-19-35-20-37(28)2)22-11-14-24(33)15-12-22;1-35(15-16-38-3)29-27(20-7-5-4-6-8-20)28(32)24-17-22(11-14-25(24)34-29)30(37,26-18-33-19-36(26)2)21-9-12-23(31)13-10-21;1-28(32,33)16-38-27-25(18-6-4-3-5-7-18)26(31)22-14-20(10-13-23(22)35-27)29(37,24-15-34-17-36(24)2)19-8-11-21(30)12-9-19;1-34-17-32-16-24(34)28(35,19-7-10-21(29)11-8-19)20-9-12-23-22(15-20)26(30)25(18-5-3-2-4-6-18)27(33-23)36-14-13-31/h4-6,8-9,11-16,18-20,39H,3,7,10,17H2,1-2H3;4-14,17-19,37H,15-16H2,1-3H3;3-15,17,37H,16H2,1-2H3;2-12,15-17,35H,13-14,31H2,1H3.

What are the key properties of [2-(2-aminoethoxy)-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinolin-2-yl]oxyhexan-3-one;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?

[2-(2-aminoethoxy)-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinolin-2-yl]oxyhexan-3-one;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 2195.85 g/mol, XLogP of 26.50, 32 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-aminoethoxy)-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinolin-2-yl]oxyhexan-3-one;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 158466539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).