1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone

C168H173Cl8F2N31O21 — CID 157411445

IUPAC1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone
SMILESCCOc1c(OC)nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c1Cl.CCc1c(OC)nc2ccc(C(O)(c3cnnn3C)C3CN(C(C)=O)C3)cc2c1Cl.CCc1nc2ccc(C(O)(c3cnnn3C)C3CN(C(C)=O)C3)cc2c(Cl)c1OCC1CC1.COc1nc2c(C)cc(C(O)(c3cn(C)nc3C)c3cnc(C)n3C)cc2c(Cl)c1OCC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1OCC1CC1.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(OCC)c(Cl)c3c2)c2cncn2C)cc1.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(OCC4CC4)c(Cl)c3c2)c2cncn2C)cc1
InChIInChI=1S/C26H23ClN4O3.C25H23Cl2N3O3.C25H28ClF2N5O3.C24H28ClN5O3.C24H21ClN4O3.C23H26ClN5O3.C21H24ClN5O3/c1-28-19-9-6-17(7-10-19)26(32,22-13-29-15-31(22)2)18-8-11-21-20(12-18)23(27)24(25(30-21)33-3)34-14-16-4-5-16;1-30-14-28-12-21(30)25(31,16-5-8-18(26)9-6-16)17-7-10-20-19(11-17)22(27)23(24(29-20)32-2)33-13-15-3-4-15;1-13-8-16(9-17-20(26)22(36-12-24(4,27)28)23(35-7)30-21(13)17)25(34,18-11-32(5)31-14(18)2)19-10-29-15(3)33(19)6;1-4-19-23(33-13-15-5-6-15)22(25)18-9-16(7-8-20(18)27-19)24(32,21-10-26-28-29(21)3)17-11-30(12-17)14(2)31;1-5-32-22-21(25)18-12-16(8-11-19(18)28-23(22)31-4)24(30,20-13-27-14-29(20)3)15-6-9-17(26-2)10-7-15;1-7-32-21-20(24)16-10-15(8-9-17(16)27-22(21)31-6)23(30,18-11-25-13(2)28(18)4)19-12-26-14(3)29(19)5;1-5-15-19(22)16-8-13(6-7-17(16)24-20(15)30-4)21(29,18-9-23-25-26(18)3)14-10-27(11-14)12(2)28/h6-13,15-16,32H,4-5,14H2,2-3H3;5-12,14-15,31H,3-4,13H2,1-2H3;8-11,34H,12H2,1-7H3;7-10,15,17,32H,4-6,11-13H2,1-3H3;6-14,30H,5H2,1,3-4H3;8-12,30H,7H2,1-6H3;6-9,14,29H,5,10-11H2,1-4H3
InChIKeyBOIJASGDXDHWSF-UHFFFAOYSA-N
MW3284.05 g/mol
LogP29.13
Rot. Bonds45

About 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone

1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone (PubChem CID 157411445) has the molecular formula C168H173Cl8F2N31O21 and a molecular weight of 3284.05 g/mol. Its IUPAC name is 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone
PubChem CID157411445
Molecular FormulaC168H173Cl8F2N31O21
Molecular Weight3284.05 g/mol
Exact Mass3278.09
IUPAC Name1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone
SMILESCCOc1c(OC)nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c1Cl.CCc1c(OC)nc2ccc(C(O)(c3cnnn3C)C3CN(C(C)=O)C3)cc2c1Cl.CCc1nc2ccc(C(O)(c3cnnn3C)C3CN(C(C)=O)C3)cc2c(Cl)c1OCC1CC1.COc1nc2c(C)cc(C(O)(c3cn(C)nc3C)c3cnc(C)n3C)cc2c(Cl)c1OCC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1OCC1CC1.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(OCC)c(Cl)c3c2)c2cncn2C)cc1.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(OCC4CC4)c(Cl)c3c2)c2cncn2C)cc1
InChIInChI=1S/C26H23ClN4O3.C25H23Cl2N3O3.C25H28ClF2N5O3.C24H28ClN5O3.C24H21ClN4O3.C23H26ClN5O3.C21H24ClN5O3/c1-28-19-9-6-17(7-10-19)26(32,22-13-29-15-31(22)2)18-8-11-21-20(12-18)23(27)24(25(30-21)33-3)34-14-16-4-5-16;1-30-14-28-12-21(30)25(31,16-5-8-18(26)9-6-16)17-7-10-20-19(11-17)22(27)23(24(29-20)32-2)33-13-15-3-4-15;1-13-8-16(9-17-20(26)22(36-12-24(4,27)28)23(35-7)30-21(13)17)25(34,18-11-32(5)31-14(18)2)19-10-29-15(3)33(19)6;1-4-19-23(33-13-15-5-6-15)22(25)18-9-16(7-8-20(18)27-19)24(32,21-10-26-28-29(21)3)17-11-30(12-17)14(2)31;1-5-32-22-21(25)18-12-16(8-11-19(18)28-23(22)31-4)24(30,20-13-27-14-29(20)3)15-6-9-17(26-2)10-7-15;1-7-32-21-20(24)16-10-15(8-9-17(16)27-22(21)31-6)23(30,18-11-25-13(2)28(18)4)19-12-26-14(3)29(19)5;1-5-15-19(22)16-8-13(6-7-17(16)24-20(15)30-4)21(29,18-9-23-25-26(18)3)14-10-27(11-14)12(2)28/h6-13,15-16,32H,4-5,14H2,2-3H3;5-12,14-15,31H,3-4,13H2,1-2H3;8-11,34H,12H2,1-7H3;7-10,15,17,32H,4-6,11-13H2,1-3H3;6-14,30H,5H2,1,3-4H3;8-12,30H,7H2,1-6H3;6-9,14,29H,5,10-11H2,1-4H3
InChIKeyBOIJASGDXDHWSF-UHFFFAOYSA-N
XLogP29.13
TPSA578.10 Ų
H-Bond Donors7
H-Bond Acceptors48
Rotatable Bonds45
Heavy Atoms230
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003284.05
LogP ≤ 529.13
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone (CID 157411445) is 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone is CCOc1c(OC)nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c1Cl.CCc1c(OC)nc2ccc(C(O)(c3cnnn3C)C3CN(C(C)=O)C3)cc2c1Cl.CCc1nc2ccc(C(O)(c3cnnn3C)C3CN(C(C)=O)C3)cc2c(Cl)c1OCC1CC1.COc1nc2c(C)cc(C(O)(c3cn(C)nc3C)c3cnc(C)n3C)cc2c(Cl)c1OCC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1OCC1CC1.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(OCC)c(Cl)c3c2)c2cncn2C)cc1.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(OCC4CC4)c(Cl)c3c2)c2cncn2C)cc1.
What is the InChIKey of 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone?
The InChIKey is BOIJASGDXDHWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O3.C25H23Cl2N3O3.C25H28ClF2N5O3.C24H28ClN5O3.C24H21ClN4O3.C23H26ClN5O3.C21H24ClN5O3/c1-28-19-9-6-17(7-10-19)26(32,22-13-29-15-31(22)2)18-8-11-21-20(12-18)23(27)24(25(30-21)33-3)34-14-16-4-5-16;1-30-14-28-12-21(30)25(31,16-5-8-18(26)9-6-16)17-7-10-20-19(11-17)22(27)23(24(29-20)32-2)33-13-15-3-4-15;1-13-8-16(9-17-20(26)22(36-12-24(4,27)28)23(35-7)30-21(13)17)25(34,18-11-32(5)31-14(18)2)19-10-29-15(3)33(19)6;1-4-19-23(33-13-15-5-6-15)22(25)18-9-16(7-8-20(18)27-19)24(32,21-10-26-28-29(21)3)17-11-30(12-17)14(2)31;1-5-32-22-21(25)18-12-16(8-11-19(18)28-23(22)31-4)24(30,20-13-27-14-29(20)3)15-6-9-17(26-2)10-7-15;1-7-32-21-20(24)16-10-15(8-9-17(16)27-22(21)31-6)23(30,18-11-25-13(2)28(18)4)19-12-26-14(3)29(19)5;1-5-15-19(22)16-8-13(6-7-17(16)24-20(15)30-4)21(29,18-9-23-25-26(18)3)14-10-27(11-14)12(2)28/h6-13,15-16,32H,4-5,14H2,2-3H3;5-12,14-15,31H,3-4,13H2,1-2H3;8-11,34H,12H2,1-7H3;7-10,15,17,32H,4-6,11-13H2,1-3H3;6-14,30H,5H2,1,3-4H3;8-12,30H,7H2,1-6H3;6-9,14,29H,5,10-11H2,1-4H3.
What are the key properties of 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone?
1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone has a molecular weight of 3284.05 g/mol, XLogP of 29.13, 45 rotatable bonds, 7 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-[(4-chloro-3-ethyl-2-methoxyquinolin-6-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone is sourced from PubChem (CID 157411445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).