N-[(3-chloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-quinolin-4-yloxybenzamide

C118H96Cl2F3N15O11 — CID 167581100

IUPACN-[(3-chloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-quinolin-4-yloxybenzamide
SMILESCOc1ccc2c(Oc3cccc(C(=O)NCc4ccnc(F)c4)c3C)ccnc2c1.Cc1c(Oc2ccnc3cc(Cl)ccc23)cccc1C(=O)NCc1ccncc1F.Cc1c(Oc2ccnc3ccccc23)cccc1C(=O)NCc1ccncc1.Cc1ccc2c(Oc3cccc(C(=O)NCc4ccncc4Cl)c3C)ccnc2c1.Cc1ccc2c(Oc3cccc(C(=O)NCc4ccncc4F)c3C)ccnc2c1
InChIInChI=1S/C24H20ClN3O2.C24H20FN3O3.C24H20FN3O2.C23H17ClFN3O2.C23H19N3O2/c1-15-6-7-19-21(12-15)27-11-9-23(19)30-22-5-3-4-18(16(22)2)24(29)28-13-17-8-10-26-14-20(17)25;1-15-18(24(29)28-14-16-8-10-27-23(25)12-16)4-3-5-21(15)31-22-9-11-26-20-13-17(30-2)6-7-19(20)22;1-15-6-7-19-21(12-15)27-11-9-23(19)30-22-5-3-4-18(16(22)2)24(29)28-13-17-8-10-26-14-20(17)25;1-14-17(23(29)28-12-15-7-9-26-13-19(15)25)3-2-4-21(14)30-22-8-10-27-20-11-16(24)5-6-18(20)22;1-16-18(23(27)26-15-17-9-12-24-13-10-17)6-4-8-21(16)28-22-11-14-25-20-7-3-2-5-19(20)22/h3-12,14H,13H2,1-2H3,(H,28,29);3-13H,14H2,1-2H3,(H,28,29);3-12,14H,13H2,1-2H3,(H,28,29);2-11,13H,12H2,1H3,(H,28,29);2-14H,15H2,1H3,(H,26,27)
InChIKeyHEPUZKBXMJDWJX-UHFFFAOYSA-N
MW2028.06 g/mol
LogP25.65
Rot. Bonds26

About N-[(3-chloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-quinolin-4-yloxybenzamide

N-[(3-chloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-quinolin-4-yloxybenzamide (PubChem CID 167581100) has the molecular formula C118H96Cl2F3N15O11 and a molecular weight of 2028.06 g/mol. Its IUPAC name is N-[(3-chloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-quinolin-4-yloxybenzamide.

Molecular Properties

Compound NameN-[(3-chloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-quinolin-4-yloxybenzamide
PubChem CID167581100
Molecular FormulaC118H96Cl2F3N15O11
Molecular Weight2028.06 g/mol
Exact Mass2025.67
IUPAC NameN-[(3-chloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-quinolin-4-yloxybenzamide
SMILESCOc1ccc2c(Oc3cccc(C(=O)NCc4ccnc(F)c4)c3C)ccnc2c1.Cc1c(Oc2ccnc3cc(Cl)ccc23)cccc1C(=O)NCc1ccncc1F.Cc1c(Oc2ccnc3ccccc23)cccc1C(=O)NCc1ccncc1.Cc1ccc2c(Oc3cccc(C(=O)NCc4ccncc4Cl)c3C)ccnc2c1.Cc1ccc2c(Oc3cccc(C(=O)NCc4ccncc4F)c3C)ccnc2c1
InChIInChI=1S/C24H20ClN3O2.C24H20FN3O3.C24H20FN3O2.C23H17ClFN3O2.C23H19N3O2/c1-15-6-7-19-21(12-15)27-11-9-23(19)30-22-5-3-4-18(16(22)2)24(29)28-13-17-8-10-26-14-20(17)25;1-15-18(24(29)28-14-16-8-10-27-23(25)12-16)4-3-5-21(15)31-22-9-11-26-20-13-17(30-2)6-7-19(20)22;1-15-6-7-19-21(12-15)27-11-9-23(19)30-22-5-3-4-18(16(22)2)24(29)28-13-17-8-10-26-14-20(17)25;1-14-17(23(29)28-12-15-7-9-26-13-19(15)25)3-2-4-21(14)30-22-8-10-27-20-11-16(24)5-6-18(20)22;1-16-18(23(27)26-15-17-9-12-24-13-10-17)6-4-8-21(16)28-22-11-14-25-20-7-3-2-5-19(20)22/h3-12,14H,13H2,1-2H3,(H,28,29);3-13H,14H2,1-2H3,(H,28,29);3-12,14H,13H2,1-2H3,(H,28,29);2-11,13H,12H2,1H3,(H,28,29);2-14H,15H2,1H3,(H,26,27)
InChIKeyHEPUZKBXMJDWJX-UHFFFAOYSA-N
XLogP25.65
TPSA329.78 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds26
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002028.06
LogP ≤ 525.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze N-[(3-chloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-quinolin-4-yloxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-quinolin-4-yloxybenzamide?
The IUPAC name of N-[(3-chloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-quinolin-4-yloxybenzamide (CID 167581100) is N-[(3-chloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-quinolin-4-yloxybenzamide.
What is the SMILES notation for N-[(3-chloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-quinolin-4-yloxybenzamide?
The canonical SMILES for N-[(3-chloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-quinolin-4-yloxybenzamide is COc1ccc2c(Oc3cccc(C(=O)NCc4ccnc(F)c4)c3C)ccnc2c1.Cc1c(Oc2ccnc3cc(Cl)ccc23)cccc1C(=O)NCc1ccncc1F.Cc1c(Oc2ccnc3ccccc23)cccc1C(=O)NCc1ccncc1.Cc1ccc2c(Oc3cccc(C(=O)NCc4ccncc4Cl)c3C)ccnc2c1.Cc1ccc2c(Oc3cccc(C(=O)NCc4ccncc4F)c3C)ccnc2c1.
What is the InChIKey of N-[(3-chloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-quinolin-4-yloxybenzamide?
The InChIKey is HEPUZKBXMJDWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2.C24H20FN3O3.C24H20FN3O2.C23H17ClFN3O2.C23H19N3O2/c1-15-6-7-19-21(12-15)27-11-9-23(19)30-22-5-3-4-18(16(22)2)24(29)28-13-17-8-10-26-14-20(17)25;1-15-18(24(29)28-14-16-8-10-27-23(25)12-16)4-3-5-21(15)31-22-9-11-26-20-13-17(30-2)6-7-19(20)22;1-15-6-7-19-21(12-15)27-11-9-23(19)30-22-5-3-4-18(16(22)2)24(29)28-13-17-8-10-26-14-20(17)25;1-14-17(23(29)28-12-15-7-9-26-13-19(15)25)3-2-4-21(14)30-22-8-10-27-20-11-16(24)5-6-18(20)22;1-16-18(23(27)26-15-17-9-12-24-13-10-17)6-4-8-21(16)28-22-11-14-25-20-7-3-2-5-19(20)22/h3-12,14H,13H2,1-2H3,(H,28,29);3-13H,14H2,1-2H3,(H,28,29);3-12,14H,13H2,1-2H3,(H,28,29);2-11,13H,12H2,1H3,(H,28,29);2-14H,15H2,1H3,(H,26,27).
What are the key properties of N-[(3-chloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-quinolin-4-yloxybenzamide?
N-[(3-chloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-quinolin-4-yloxybenzamide has a molecular weight of 2028.06 g/mol, XLogP of 25.65, 26 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;2-methyl-N-(pyridin-4-ylmethyl)-3-quinolin-4-yloxybenzamide is sourced from PubChem (CID 167581100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).