[3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2-cyclopenta-1,4-dien-1-yl-3-propan-2-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2,3-dimethylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-3-methyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol

C145H116Cl9N11O7 — CID 162227575

IUPAC[3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2-cyclopenta-1,4-dien-1-yl-3-propan-2-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2,3-dimethylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-3-methyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol
SMILESCC(C)(C)c1c(-c2ccco2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1-c1ccco1.CC(C)(C)c1c(/C=C/c2ccccc2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl.CC(C)c1c(C2=CCC=C2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl.Cc1c(-c2cccnc2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl.Cc1nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c(Cl)c1C
InChIInChI=1S/C33H28Cl2N2O.C33H27ClN2O3.C29H24Cl2N2O.C27H19Cl2N3O.C23H18Cl2N2O/c1-32(2,3)30-29(16-14-22-9-5-4-6-10-22)37-28-17-15-24(20-27(28)31(30)35)33(38,25-12-8-18-36-21-25)23-11-7-13-26(34)19-23;1-32(2,3)30-29(27-11-6-16-38-27)25-19-22(13-14-26(25)36-31(30)28-12-7-17-39-28)33(37,23-9-5-15-35-20-23)21-8-4-10-24(34)18-21;1-18(2)26-27(31)24-16-21(12-13-25(24)33-28(26)19-7-3-4-8-19)29(34,22-10-6-14-32-17-22)20-9-5-11-23(30)15-20;1-17-25(29)23-14-20(9-10-24(23)32-26(17)18-5-3-11-30-15-18)27(33,21-7-4-12-31-16-21)19-6-2-8-22(28)13-19;1-14-15(2)27-21-9-8-17(12-20(21)22(14)25)23(28,18-6-4-10-26-13-18)16-5-3-7-19(24)11-16/h4-21,38H,1-3H3;4-20,37H,1-3H3;3,5-18,34H,4H2,1-2H3;2-16,33H,1H3;3-13,28H,1-2H3/b16-14+;;;;
InChIKeyZUYRMCRIYQASSF-YQYAMKSKSA-N
MW2443.67 g/mol
LogP37.19
Rot. Bonds22

About [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2-cyclopenta-1,4-dien-1-yl-3-propan-2-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2,3-dimethylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-3-methyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol

[3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2-cyclopenta-1,4-dien-1-yl-3-propan-2-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2,3-dimethylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-3-methyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol (PubChem CID 162227575) has the molecular formula C145H116Cl9N11O7 and a molecular weight of 2443.67 g/mol. Its IUPAC name is [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2-cyclopenta-1,4-dien-1-yl-3-propan-2-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2,3-dimethylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-3-methyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2-cyclopenta-1,4-dien-1-yl-3-propan-2-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2,3-dimethylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-3-methyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol
PubChem CID162227575
Molecular FormulaC145H116Cl9N11O7
Molecular Weight2443.67 g/mol
Exact Mass2437.63
IUPAC Name[3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2-cyclopenta-1,4-dien-1-yl-3-propan-2-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2,3-dimethylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-3-methyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol
SMILESCC(C)(C)c1c(-c2ccco2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1-c1ccco1.CC(C)(C)c1c(/C=C/c2ccccc2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl.CC(C)c1c(C2=CCC=C2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl.Cc1c(-c2cccnc2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl.Cc1nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c(Cl)c1C
InChIInChI=1S/C33H28Cl2N2O.C33H27ClN2O3.C29H24Cl2N2O.C27H19Cl2N3O.C23H18Cl2N2O/c1-32(2,3)30-29(16-14-22-9-5-4-6-10-22)37-28-17-15-24(20-27(28)31(30)35)33(38,25-12-8-18-36-21-25)23-11-7-13-26(34)19-23;1-32(2,3)30-29(27-11-6-16-38-27)25-19-22(13-14-26(25)36-31(30)28-12-7-17-39-28)33(37,23-9-5-15-35-20-23)21-8-4-10-24(34)18-21;1-18(2)26-27(31)24-16-21(12-13-25(24)33-28(26)19-7-3-4-8-19)29(34,22-10-6-14-32-17-22)20-9-5-11-23(30)15-20;1-17-25(29)23-14-20(9-10-24(23)32-26(17)18-5-3-11-30-15-18)27(33,21-7-4-12-31-16-21)19-6-2-8-22(28)13-19;1-14-15(2)27-21-9-8-17(12-20(21)22(14)25)23(28,18-6-4-10-26-13-18)16-5-3-7-19(24)11-16/h4-21,38H,1-3H3;4-20,37H,1-3H3;3,5-18,34H,4H2,1-2H3;2-16,33H,1H3;3-13,28H,1-2H3/b16-14+;;;;
InChIKeyZUYRMCRIYQASSF-YQYAMKSKSA-N
XLogP37.19
TPSA269.22 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002443.67
LogP ≤ 537.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2-cyclopenta-1,4-dien-1-yl-3-propan-2-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2,3-dimethylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-3-methyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2-cyclopenta-1,4-dien-1-yl-3-propan-2-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2,3-dimethylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-3-methyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol?
The IUPAC name of [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2-cyclopenta-1,4-dien-1-yl-3-propan-2-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2,3-dimethylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-3-methyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol (CID 162227575) is [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2-cyclopenta-1,4-dien-1-yl-3-propan-2-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2,3-dimethylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-3-methyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2-cyclopenta-1,4-dien-1-yl-3-propan-2-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2,3-dimethylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-3-methyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol?
The canonical SMILES for [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2-cyclopenta-1,4-dien-1-yl-3-propan-2-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2,3-dimethylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-3-methyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol is CC(C)(C)c1c(-c2ccco2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1-c1ccco1.CC(C)(C)c1c(/C=C/c2ccccc2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl.CC(C)c1c(C2=CCC=C2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl.Cc1c(-c2cccnc2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl.Cc1nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c(Cl)c1C.
What is the InChIKey of [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2-cyclopenta-1,4-dien-1-yl-3-propan-2-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2,3-dimethylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-3-methyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol?
The InChIKey is ZUYRMCRIYQASSF-YQYAMKSKSA-N. The full InChI is InChI=1S/C33H28Cl2N2O.C33H27ClN2O3.C29H24Cl2N2O.C27H19Cl2N3O.C23H18Cl2N2O/c1-32(2,3)30-29(16-14-22-9-5-4-6-10-22)37-28-17-15-24(20-27(28)31(30)35)33(38,25-12-8-18-36-21-25)23-11-7-13-26(34)19-23;1-32(2,3)30-29(27-11-6-16-38-27)25-19-22(13-14-26(25)36-31(30)28-12-7-17-39-28)33(37,23-9-5-15-35-20-23)21-8-4-10-24(34)18-21;1-18(2)26-27(31)24-16-21(12-13-25(24)33-28(26)19-7-3-4-8-19)29(34,22-10-6-14-32-17-22)20-9-5-11-23(30)15-20;1-17-25(29)23-14-20(9-10-24(23)32-26(17)18-5-3-11-30-15-18)27(33,21-7-4-12-31-16-21)19-6-2-8-22(28)13-19;1-14-15(2)27-21-9-8-17(12-20(21)22(14)25)23(28,18-6-4-10-26-13-18)16-5-3-7-19(24)11-16/h4-21,38H,1-3H3;4-20,37H,1-3H3;3,5-18,34H,4H2,1-2H3;2-16,33H,1H3;3-13,28H,1-2H3/b16-14+;;;;.
What are the key properties of [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2-cyclopenta-1,4-dien-1-yl-3-propan-2-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2,3-dimethylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-3-methyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol?
[3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2-cyclopenta-1,4-dien-1-yl-3-propan-2-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2,3-dimethylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-3-methyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol has a molecular weight of 2443.67 g/mol, XLogP of 37.19, 22 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2-cyclopenta-1,4-dien-1-yl-3-propan-2-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-2,3-dimethylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-3-methyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 162227575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).