N-[4-chloro-3-(7,8-dimethylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide;N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-3-methylbutanamide

C86H67Cl4F3N14O6 — CID 161040007

IUPACN-[4-chloro-3-(7,8-dimethylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide;N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1.COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3cnc4ccc(C)c(C)c4n3)c2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cnc3cccnc3n2)c1.O=C(Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1)c1ccccc1
InChIInChI=1S/C25H22ClN3O3.C21H13ClF3N5O.C21H14ClN3O.C19H18ClN3O/c1-14-5-8-22-24(15(14)2)29-23(13-27-22)20-11-17(6-7-21(20)26)28-25(30)16-9-18(31-3)12-19(10-16)32-4;1-11-13(5-7-18(28-11)21(23,24)25)20(31)29-12-4-6-15(22)14(9-12)17-10-27-16-3-2-8-26-19(16)30-17;22-17-11-10-15(24-21(26)14-6-2-1-3-7-14)12-16(17)20-13-23-18-8-4-5-9-19(18)25-20;1-12(2)9-19(24)22-13-7-8-15(20)14(10-13)18-11-21-16-5-3-4-6-17(16)23-18/h5-13H,1-4H3,(H,28,30);2-10H,1H3,(H,29,31);1-13H,(H,24,26);3-8,10-12H,9H2,1-2H3,(H,22,24)
InChIKeyUATIGYIZNFFUHO-UHFFFAOYSA-N
MW1591.38 g/mol
LogP21.29
Rot. Bonds15

About N-[4-chloro-3-(7,8-dimethylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide;N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-3-methylbutanamide

N-[4-chloro-3-(7,8-dimethylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide;N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-3-methylbutanamide (PubChem CID 161040007) has the molecular formula C86H67Cl4F3N14O6 and a molecular weight of 1591.38 g/mol. Its IUPAC name is N-[4-chloro-3-(7,8-dimethylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide;N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(7,8-dimethylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide;N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-3-methylbutanamide
PubChem CID161040007
Molecular FormulaC86H67Cl4F3N14O6
Molecular Weight1591.38 g/mol
Exact Mass1588.41
IUPAC NameN-[4-chloro-3-(7,8-dimethylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide;N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1.COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3cnc4ccc(C)c(C)c4n3)c2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cnc3cccnc3n2)c1.O=C(Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1)c1ccccc1
InChIInChI=1S/C25H22ClN3O3.C21H13ClF3N5O.C21H14ClN3O.C19H18ClN3O/c1-14-5-8-22-24(15(14)2)29-23(13-27-22)20-11-17(6-7-21(20)26)28-25(30)16-9-18(31-3)12-19(10-16)32-4;1-11-13(5-7-18(28-11)21(23,24)25)20(31)29-12-4-6-15(22)14(9-12)17-10-27-16-3-2-8-26-19(16)30-17;22-17-11-10-15(24-21(26)14-6-2-1-3-7-14)12-16(17)20-13-23-18-8-4-5-9-19(18)25-20;1-12(2)9-19(24)22-13-7-8-15(20)14(10-13)18-11-21-16-5-3-4-6-17(16)23-18/h5-13H,1-4H3,(H,28,30);2-10H,1H3,(H,29,31);1-13H,(H,24,26);3-8,10-12H,9H2,1-2H3,(H,22,24)
InChIKeyUATIGYIZNFFUHO-UHFFFAOYSA-N
XLogP21.29
TPSA263.76 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001591.38
LogP ≤ 521.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze N-[4-chloro-3-(7,8-dimethylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide;N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-3-methylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(7,8-dimethylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide;N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-3-methylbutanamide?
The IUPAC name of N-[4-chloro-3-(7,8-dimethylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide;N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-3-methylbutanamide (CID 161040007) is N-[4-chloro-3-(7,8-dimethylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide;N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-3-methylbutanamide.
What is the SMILES notation for N-[4-chloro-3-(7,8-dimethylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide;N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-3-methylbutanamide?
The canonical SMILES for N-[4-chloro-3-(7,8-dimethylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide;N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1.COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3cnc4ccc(C)c(C)c4n3)c2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cnc3cccnc3n2)c1.O=C(Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1)c1ccccc1.
What is the InChIKey of N-[4-chloro-3-(7,8-dimethylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide;N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-3-methylbutanamide?
The InChIKey is UATIGYIZNFFUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3.C21H13ClF3N5O.C21H14ClN3O.C19H18ClN3O/c1-14-5-8-22-24(15(14)2)29-23(13-27-22)20-11-17(6-7-21(20)26)28-25(30)16-9-18(31-3)12-19(10-16)32-4;1-11-13(5-7-18(28-11)21(23,24)25)20(31)29-12-4-6-15(22)14(9-12)17-10-27-16-3-2-8-26-19(16)30-17;22-17-11-10-15(24-21(26)14-6-2-1-3-7-14)12-16(17)20-13-23-18-8-4-5-9-19(18)25-20;1-12(2)9-19(24)22-13-7-8-15(20)14(10-13)18-11-21-16-5-3-4-6-17(16)23-18/h5-13H,1-4H3,(H,28,30);2-10H,1H3,(H,29,31);1-13H,(H,24,26);3-8,10-12H,9H2,1-2H3,(H,22,24).
What are the key properties of N-[4-chloro-3-(7,8-dimethylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide;N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-3-methylbutanamide?
N-[4-chloro-3-(7,8-dimethylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide;N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-3-methylbutanamide has a molecular weight of 1591.38 g/mol, XLogP of 21.29, 15 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(7,8-dimethylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide;N-(4-chloro-3-pyrido[2,3-b]pyrazin-3-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-3-methylbutanamide is sourced from PubChem (CID 161040007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).