[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-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol

C119H104Cl8F2N14O8 — CID 158385102

IUPAC[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-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
SMILESCCC(=O)CCCOc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.CCCN(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
InChIInChI=1S/C32H29Cl2N3O3.C30H28Cl2N4O.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;1-4-16-35(2)29-27(20-8-6-5-7-9-20)28(32)24-17-22(12-15-25(24)34-29)30(37,26-18-33-19-36(26)3)21-10-13-23(31)14-11-21;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;5-15,17-19,37H,4,16H2,1-3H3;3-15,17,37H,16H2,1-2H3;2-12,15-17,35H,13-14,31H2,1H3
InChIKeyGWGQUSKXEAMZDU-UHFFFAOYSA-N
MW2179.85 g/mol
LogP27.26
Rot. Bonds31

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-[methyl(propyl)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-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol (PubChem CID 158385102) has the molecular formula C119H104Cl8F2N14O8 and a molecular weight of 2179.85 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-[methyl(propyl)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-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
PubChem CID158385102
Molecular FormulaC119H104Cl8F2N14O8
Molecular Weight2179.85 g/mol
Exact Mass2174.56
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-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
SMILESCCC(=O)CCCOc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.CCCN(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
InChIInChI=1S/C32H29Cl2N3O3.C30H28Cl2N4O.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;1-4-16-35(2)29-27(20-8-6-5-7-9-20)28(32)24-17-22(12-15-25(24)34-29)30(37,26-18-33-19-36(26)3)21-10-13-23(31)14-11-21;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;5-15,17-19,37H,4,16H2,1-3H3;3-15,17,37H,16H2,1-2H3;2-12,15-17,35H,13-14,31H2,1H3
InChIKeyGWGQUSKXEAMZDU-UHFFFAOYSA-N
XLogP27.26
TPSA277.78 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds31
Heavy Atoms151
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002179.85
LogP ≤ 527.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze [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-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol with MolForge

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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-[methyl(propyl)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-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol (CID 158385102) 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-[methyl(propyl)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-[methyl(propyl)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-[methyl(propyl)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.CCCN(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-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is GWGQUSKXEAMZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29Cl2N3O3.C30H28Cl2N4O.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;1-4-16-35(2)29-27(20-8-6-5-7-9-20)28(32)24-17-22(12-15-25(24)34-29)30(37,26-18-33-19-36(26)3)21-10-13-23(31)14-11-21;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;5-15,17-19,37H,4,16H2,1-3H3;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-[methyl(propyl)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-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 2179.85 g/mol, XLogP of 27.26, 31 rotatable bonds, 5 hydrogen bond donors, and 22 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-[methyl(propyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 158385102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).