tert-butyl N-[2,4-dichloro-6-[(3-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]quinolin-3-yl]-N-phenylcarbamate;[4-chloro-3-(4-chlorophenoxy)-2-(3-propan-2-yloxyazetidin-1-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(diethylamino)-3-phenoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol

C93H82Cl6F3N13O8 — CID 157253076

IUPACtert-butyl N-[2,4-dichloro-6-[(3-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]quinolin-3-yl]-N-phenylcarbamate;[4-chloro-3-(4-chlorophenoxy)-2-(3-propan-2-yloxyazetidin-1-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(diethylamino)-3-phenoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
SMILESCC(C)(C)OC(=O)N(c1ccccc1)c1c(Cl)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl.CC(C)OC1CN(c2nc3ccc(C(O)(c4ccc(C(F)(F)F)nc4)c4cncn4C)cc3c(Cl)c2Oc2ccc(Cl)cc2)C1.CCN(CC)c1nc2ccc(C(O)(c3ccccn3)c3cncn3C)cc2c(Cl)c1Oc1ccccc1
InChIInChI=1S/C32H26Cl3N3O3.C32H28Cl2F3N5O3.C29H28ClN5O2/c1-31(2,3)41-30(39)38(24-12-5-4-6-13-24)28-27(34)25-18-21(14-15-26(25)37-29(28)35)32(40,22-10-8-16-36-19-22)20-9-7-11-23(33)17-20;1-18(2)44-23-15-42(16-23)30-29(45-22-8-6-21(33)7-9-22)28(34)24-12-19(4-10-25(24)40-30)31(43,27-14-38-17-41(27)3)20-5-11-26(39-13-20)32(35,36)37;1-4-35(5-2)28-27(37-21-11-7-6-8-12-21)26(30)22-17-20(14-15-23(22)33-28)29(36,24-13-9-10-16-32-24)25-18-31-19-34(25)3/h4-19,40H,1-3H3;4-14,17-18,23,43H,15-16H2,1-3H3;6-19,36H,4-5H2,1-3H3
InChIKeyAWOGZTYJSZHMHY-UHFFFAOYSA-N
MW1779.47 g/mol
LogP22.27
Rot. Bonds21

About tert-butyl N-[2,4-dichloro-6-[(3-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]quinolin-3-yl]-N-phenylcarbamate;[4-chloro-3-(4-chlorophenoxy)-2-(3-propan-2-yloxyazetidin-1-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(diethylamino)-3-phenoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol

tert-butyl N-[2,4-dichloro-6-[(3-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]quinolin-3-yl]-N-phenylcarbamate;[4-chloro-3-(4-chlorophenoxy)-2-(3-propan-2-yloxyazetidin-1-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(diethylamino)-3-phenoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol (PubChem CID 157253076) has the molecular formula C93H82Cl6F3N13O8 and a molecular weight of 1779.47 g/mol. Its IUPAC name is tert-butyl N-[2,4-dichloro-6-[(3-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]quinolin-3-yl]-N-phenylcarbamate;[4-chloro-3-(4-chlorophenoxy)-2-(3-propan-2-yloxyazetidin-1-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(diethylamino)-3-phenoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol.

Molecular Properties

Compound Nametert-butyl N-[2,4-dichloro-6-[(3-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]quinolin-3-yl]-N-phenylcarbamate;[4-chloro-3-(4-chlorophenoxy)-2-(3-propan-2-yloxyazetidin-1-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(diethylamino)-3-phenoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
PubChem CID157253076
Molecular FormulaC93H82Cl6F3N13O8
Molecular Weight1779.47 g/mol
Exact Mass1775.45
IUPAC Nametert-butyl N-[2,4-dichloro-6-[(3-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]quinolin-3-yl]-N-phenylcarbamate;[4-chloro-3-(4-chlorophenoxy)-2-(3-propan-2-yloxyazetidin-1-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(diethylamino)-3-phenoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
SMILESCC(C)(C)OC(=O)N(c1ccccc1)c1c(Cl)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl.CC(C)OC1CN(c2nc3ccc(C(O)(c4ccc(C(F)(F)F)nc4)c4cncn4C)cc3c(Cl)c2Oc2ccc(Cl)cc2)C1.CCN(CC)c1nc2ccc(C(O)(c3ccccn3)c3cncn3C)cc2c(Cl)c1Oc1ccccc1
InChIInChI=1S/C32H26Cl3N3O3.C32H28Cl2F3N5O3.C29H28ClN5O2/c1-31(2,3)41-30(39)38(24-12-5-4-6-13-24)28-27(34)25-18-21(14-15-26(25)37-29(28)35)32(40,22-10-8-16-36-19-22)20-9-7-11-23(33)17-20;1-18(2)44-23-15-42(16-23)30-29(45-22-8-6-21(33)7-9-22)28(34)24-12-19(4-10-25(24)40-30)31(43,27-14-38-17-41(27)3)20-5-11-26(39-13-20)32(35,36)37;1-4-35(5-2)28-27(37-21-11-7-6-8-12-21)26(30)22-17-20(14-15-23(22)33-28)29(36,24-13-9-10-16-32-24)25-18-31-19-34(25)3/h4-19,40H,1-3H3;4-14,17-18,23,43H,15-16H2,1-3H3;6-19,36H,4-5H2,1-3H3
InChIKeyAWOGZTYJSZHMHY-UHFFFAOYSA-N
XLogP22.27
TPSA237.38 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001779.47
LogP ≤ 522.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze tert-butyl N-[2,4-dichloro-6-[(3-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]quinolin-3-yl]-N-phenylcarbamate;[4-chloro-3-(4-chlorophenoxy)-2-(3-propan-2-yloxyazetidin-1-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(diethylamino)-3-phenoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,4-dichloro-6-[(3-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]quinolin-3-yl]-N-phenylcarbamate;[4-chloro-3-(4-chlorophenoxy)-2-(3-propan-2-yloxyazetidin-1-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(diethylamino)-3-phenoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol?
The IUPAC name of tert-butyl N-[2,4-dichloro-6-[(3-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]quinolin-3-yl]-N-phenylcarbamate;[4-chloro-3-(4-chlorophenoxy)-2-(3-propan-2-yloxyazetidin-1-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(diethylamino)-3-phenoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol (CID 157253076) is tert-butyl N-[2,4-dichloro-6-[(3-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]quinolin-3-yl]-N-phenylcarbamate;[4-chloro-3-(4-chlorophenoxy)-2-(3-propan-2-yloxyazetidin-1-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(diethylamino)-3-phenoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol.
What is the SMILES notation for tert-butyl N-[2,4-dichloro-6-[(3-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]quinolin-3-yl]-N-phenylcarbamate;[4-chloro-3-(4-chlorophenoxy)-2-(3-propan-2-yloxyazetidin-1-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(diethylamino)-3-phenoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol?
The canonical SMILES for tert-butyl N-[2,4-dichloro-6-[(3-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]quinolin-3-yl]-N-phenylcarbamate;[4-chloro-3-(4-chlorophenoxy)-2-(3-propan-2-yloxyazetidin-1-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(diethylamino)-3-phenoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol is CC(C)(C)OC(=O)N(c1ccccc1)c1c(Cl)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl.CC(C)OC1CN(c2nc3ccc(C(O)(c4ccc(C(F)(F)F)nc4)c4cncn4C)cc3c(Cl)c2Oc2ccc(Cl)cc2)C1.CCN(CC)c1nc2ccc(C(O)(c3ccccn3)c3cncn3C)cc2c(Cl)c1Oc1ccccc1.
What is the InChIKey of tert-butyl N-[2,4-dichloro-6-[(3-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]quinolin-3-yl]-N-phenylcarbamate;[4-chloro-3-(4-chlorophenoxy)-2-(3-propan-2-yloxyazetidin-1-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(diethylamino)-3-phenoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol?
The InChIKey is AWOGZTYJSZHMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26Cl3N3O3.C32H28Cl2F3N5O3.C29H28ClN5O2/c1-31(2,3)41-30(39)38(24-12-5-4-6-13-24)28-27(34)25-18-21(14-15-26(25)37-29(28)35)32(40,22-10-8-16-36-19-22)20-9-7-11-23(33)17-20;1-18(2)44-23-15-42(16-23)30-29(45-22-8-6-21(33)7-9-22)28(34)24-12-19(4-10-25(24)40-30)31(43,27-14-38-17-41(27)3)20-5-11-26(39-13-20)32(35,36)37;1-4-35(5-2)28-27(37-21-11-7-6-8-12-21)26(30)22-17-20(14-15-23(22)33-28)29(36,24-13-9-10-16-32-24)25-18-31-19-34(25)3/h4-19,40H,1-3H3;4-14,17-18,23,43H,15-16H2,1-3H3;6-19,36H,4-5H2,1-3H3.
What are the key properties of tert-butyl N-[2,4-dichloro-6-[(3-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]quinolin-3-yl]-N-phenylcarbamate;[4-chloro-3-(4-chlorophenoxy)-2-(3-propan-2-yloxyazetidin-1-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(diethylamino)-3-phenoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol?
tert-butyl N-[2,4-dichloro-6-[(3-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]quinolin-3-yl]-N-phenylcarbamate;[4-chloro-3-(4-chlorophenoxy)-2-(3-propan-2-yloxyazetidin-1-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(diethylamino)-3-phenoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol has a molecular weight of 1779.47 g/mol, XLogP of 22.27, 21 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,4-dichloro-6-[(3-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]quinolin-3-yl]-N-phenylcarbamate;[4-chloro-3-(4-chlorophenoxy)-2-(3-propan-2-yloxyazetidin-1-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(diethylamino)-3-phenoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol is sourced from PubChem (CID 157253076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).