1-[(3-chloro-2-hydroxyphenyl)methylidene]-2-(4,6-dimethylquinazolin-2-yl)guanidine;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-methylcarbonimidoyl]benzoic acid;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-phenylcarbonimidoyl]benzoic acid;2-(4,6-dimethylquinazolin-2-yl)-1-[1-(2-hydroxyphenyl)ethylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2-hydroxyphenyl)methylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-(pyridin-2-ylmethylidene)guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2,4,6-trimethoxyphenyl)methylidene]guanidine;2-[C-methyl-N-(N'-quinazolin-2-ylcarbamimidoyl)carbonimidoyl]benzoic acid

C156H146ClN41O12 — CID 157253665

About 1-[(3-chloro-2-hydroxyphenyl)methylidene]-2-(4,6-dimethylquinazolin-2-yl)guanidine;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-methylcarbonimidoyl]benzoic acid;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-phenylcarbonimidoyl]benzoic acid;2-(4,6-dimethylquinazolin-2-yl)-1-[1-(2-hydroxyphenyl)ethylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2-hydroxyphenyl)methylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-(pyridin-2-ylmethylidene)guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2,4,6-trimethoxyphenyl)methylidene]guanidine;2-[C-methyl-N-(N'-quinazolin-2-ylcarbamimidoyl)carbonimidoyl]benzoic acid

1-[(3-chloro-2-hydroxyphenyl)methylidene]-2-(4,6-dimethylquinazolin-2-yl)guanidine;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-methylcarbonimidoyl]benzoic acid;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-phenylcarbonimidoyl]benzoic acid;2-(4,6-dimethylquinazolin-2-yl)-1-[1-(2-hydroxyphenyl)ethylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2-hydroxyphenyl)methylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-(pyridin-2-ylmethylidene)guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2,4,6-trimethoxyphenyl)methylidene]guanidine;2-[C-methyl-N-(N'-quinazolin-2-ylcarbamimidoyl)carbonimidoyl]benzoic acid (PubChem CID 157253665) has the molecular formula C156H146ClN41O12 and a molecular weight of 2822.61 g/mol. Its IUPAC name is 1-[(3-chloro-2-hydroxyphenyl)methylidene]-2-(4,6-dimethylquinazolin-2-yl)guanidine;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-methylcarbonimidoyl]benzoic acid;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-phenylcarbonimidoyl]benzoic acid;2-(4,6-dimethylquinazolin-2-yl)-1-[1-(2-hydroxyphenyl)ethylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2-hydroxyphenyl)methylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-(pyridin-2-ylmethylidene)guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2,4,6-trimethoxyphenyl)methylidene]guanidine;2-[C-methyl-N-(N'-quinazolin-2-ylcarbamimidoyl)carbonimidoyl]benzoic acid.

Molecular Properties

• Compound Name: 1-[(3-chloro-2-hydroxyphenyl)methylidene]-2-(4,6-dimethylquinazolin-2-yl)guanidine;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-methylcarbonimidoyl]benzoic acid;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-phenylcarbonimidoyl]benzoic acid;2-(4,6-dimethylquinazolin-2-yl)-1-[1-(2-hydroxyphenyl)ethylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2-hydroxyphenyl)methylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-(pyridin-2-ylmethylidene)guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2,4,6-trimethoxyphenyl)methylidene]guanidine;2-[C-methyl-N-(N'-quinazolin-2-ylcarbamimidoyl)carbonimidoyl]benzoic acid
• PubChem CID: 157253665
• Molecular Formula: C156H146ClN41O12
• Molecular Weight: 2822.61 g/mol
• Exact Mass: 2820.18
• IUPAC Name: 1-[(3-chloro-2-hydroxyphenyl)methylidene]-2-(4,6-dimethylquinazolin-2-yl)guanidine;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-methylcarbonimidoyl]benzoic acid;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-phenylcarbonimidoyl]benzoic acid;2-(4,6-dimethylquinazolin-2-yl)-1-[1-(2-hydroxyphenyl)ethylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2-hydroxyphenyl)methylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-(pyridin-2-ylmethylidene)guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2,4,6-trimethoxyphenyl)methylidene]guanidine;2-[C-methyl-N-(N'-quinazolin-2-ylcarbamimidoyl)carbonimidoyl]benzoic acid
• SMILES: CC(=NC(N)=Nc1nc(C)c2cc(C)ccc2n1)c1ccccc1C(=O)O.CC(=NC(N)=Nc1nc(C)c2cc(C)ccc2n1)c1ccccc1O.CC(=NC(N)=Nc1ncc2ccccc2n1)c1ccccc1C(=O)O.COc1cc(OC)c(C=NC(N)=Nc2nc(C)c3cc(C)ccc3n2)c(OC)c1.Cc1ccc2nc(N=C(N)N=C(c3ccccc3)c3ccccc3C(=O)O)nc(C)c2c1.Cc1ccc2nc(N=C(N)N=Cc3cccc(Cl)c3O)nc(C)c2c1.Cc1ccc2nc(N=C(N)N=Cc3ccccc3O)nc(C)c2c1.Cc1ccc2nc(N=C(N)N=Cc3ccccn3)nc(C)c2c1
• InChI: InChI=1S/C25H21N5O2.C21H23N5O3.C20H19N5O2.C19H19N5O.C18H16ClN5O.C18H15N5O2.C18H17N5O.C17H16N6/c1-15-12-13-21-20(14-15)16(2)27-25(28-21)30-24(26)29-22(17-8-4-3-5-9-17)18-10-6-7-11-19(18)23(31)32;1-12-6-7-17-15(8-12)13(2)24-21(25-17)26-20(22)23-11-16-18(28-4)9-14(27-3)10-19(16)29-5;1-11-8-9-17-16(10-11)13(3)23-20(24-17)25-19(21)22-12(2)14-6-4-5-7-15(14)18(26)27;1-11-8-9-16-15(10-11)13(3)22-19(23-16)24-18(20)21-12(2)14-6-4-5-7-17(14)25;1-10-6-7-15-13(8-10)11(2)22-18(23-15)24-17(20)21-9-12-4-3-5-14(19)16(12)25;1-11(13-7-3-4-8-14(13)16(24)25)21-17(19)23-18-20-10-12-6-2-5-9-15(12)22-18;1-11-7-8-15-14(9-11)12(2)21-18(22-15)23-17(19)20-10-13-5-3-4-6-16(13)24;1-11-6-7-15-14(9-11)12(2)21-17(22-15)23-16(18)20-10-13-5-3-4-8-19-13/h3-14H,1-2H3,(H,31,32)(H2,26,27,28,30);6-11H,1-5H3,(H2,22,24,25,26);4-10H,1-3H3,(H,26,27)(H2,21,23,24,25);4-10,25H,1-3H3,(H2,20,22,23,24);3-9,25H,1-2H3,(H2,20,22,23,24);2-10H,1H3,(H,24,25)(H2,19,20,22,23);3-10,24H,1-2H3,(H2,19,21,22,23);3-10H,1-2H3,(H2,18,21,22,23)
• InChIKey: AWPZCJDPHKLBNW-UHFFFAOYSA-N
• XLogP: 26.75
• TPSA: 825.33 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 34
• Rotatable Bonds: 23
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2822.61
LogP ≤ 5	26.75
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-hydroxyphenyl)methylidene]-2-(4,6-dimethylquinazolin-2-yl)guanidine;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-methylcarbonimidoyl]benzoic acid;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-phenylcarbonimidoyl]benzoic acid;2-(4,6-dimethylquinazolin-2-yl)-1-[1-(2-hydroxyphenyl)ethylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2-hydroxyphenyl)methylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-(pyridin-2-ylmethylidene)guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2,4,6-trimethoxyphenyl)methylidene]guanidine;2-[C-methyl-N-(N'-quinazolin-2-ylcarbamimidoyl)carbonimidoyl]benzoic acid?

The IUPAC name of 1-[(3-chloro-2-hydroxyphenyl)methylidene]-2-(4,6-dimethylquinazolin-2-yl)guanidine;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-methylcarbonimidoyl]benzoic acid;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-phenylcarbonimidoyl]benzoic acid;2-(4,6-dimethylquinazolin-2-yl)-1-[1-(2-hydroxyphenyl)ethylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2-hydroxyphenyl)methylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-(pyridin-2-ylmethylidene)guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2,4,6-trimethoxyphenyl)methylidene]guanidine;2-[C-methyl-N-(N'-quinazolin-2-ylcarbamimidoyl)carbonimidoyl]benzoic acid (CID 157253665) is 1-[(3-chloro-2-hydroxyphenyl)methylidene]-2-(4,6-dimethylquinazolin-2-yl)guanidine;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-methylcarbonimidoyl]benzoic acid;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-phenylcarbonimidoyl]benzoic acid;2-(4,6-dimethylquinazolin-2-yl)-1-[1-(2-hydroxyphenyl)ethylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2-hydroxyphenyl)methylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-(pyridin-2-ylmethylidene)guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2,4,6-trimethoxyphenyl)methylidene]guanidine;2-[C-methyl-N-(N'-quinazolin-2-ylcarbamimidoyl)carbonimidoyl]benzoic acid.

What is the SMILES notation for 1-[(3-chloro-2-hydroxyphenyl)methylidene]-2-(4,6-dimethylquinazolin-2-yl)guanidine;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-methylcarbonimidoyl]benzoic acid;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-phenylcarbonimidoyl]benzoic acid;2-(4,6-dimethylquinazolin-2-yl)-1-[1-(2-hydroxyphenyl)ethylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2-hydroxyphenyl)methylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-(pyridin-2-ylmethylidene)guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2,4,6-trimethoxyphenyl)methylidene]guanidine;2-[C-methyl-N-(N'-quinazolin-2-ylcarbamimidoyl)carbonimidoyl]benzoic acid?

The canonical SMILES for 1-[(3-chloro-2-hydroxyphenyl)methylidene]-2-(4,6-dimethylquinazolin-2-yl)guanidine;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-methylcarbonimidoyl]benzoic acid;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-phenylcarbonimidoyl]benzoic acid;2-(4,6-dimethylquinazolin-2-yl)-1-[1-(2-hydroxyphenyl)ethylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2-hydroxyphenyl)methylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-(pyridin-2-ylmethylidene)guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2,4,6-trimethoxyphenyl)methylidene]guanidine;2-[C-methyl-N-(N'-quinazolin-2-ylcarbamimidoyl)carbonimidoyl]benzoic acid is CC(=NC(N)=Nc1nc(C)c2cc(C)ccc2n1)c1ccccc1C(=O)O.CC(=NC(N)=Nc1nc(C)c2cc(C)ccc2n1)c1ccccc1O.CC(=NC(N)=Nc1ncc2ccccc2n1)c1ccccc1C(=O)O.COc1cc(OC)c(C=NC(N)=Nc2nc(C)c3cc(C)ccc3n2)c(OC)c1.Cc1ccc2nc(N=C(N)N=C(c3ccccc3)c3ccccc3C(=O)O)nc(C)c2c1.Cc1ccc2nc(N=C(N)N=Cc3cccc(Cl)c3O)nc(C)c2c1.Cc1ccc2nc(N=C(N)N=Cc3ccccc3O)nc(C)c2c1.Cc1ccc2nc(N=C(N)N=Cc3ccccn3)nc(C)c2c1.

What is the InChIKey of 1-[(3-chloro-2-hydroxyphenyl)methylidene]-2-(4,6-dimethylquinazolin-2-yl)guanidine;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-methylcarbonimidoyl]benzoic acid;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-phenylcarbonimidoyl]benzoic acid;2-(4,6-dimethylquinazolin-2-yl)-1-[1-(2-hydroxyphenyl)ethylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2-hydroxyphenyl)methylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-(pyridin-2-ylmethylidene)guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2,4,6-trimethoxyphenyl)methylidene]guanidine;2-[C-methyl-N-(N'-quinazolin-2-ylcarbamimidoyl)carbonimidoyl]benzoic acid?

The InChIKey is AWPZCJDPHKLBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2.C21H23N5O3.C20H19N5O2.C19H19N5O.C18H16ClN5O.C18H15N5O2.C18H17N5O.C17H16N6/c1-15-12-13-21-20(14-15)16(2)27-25(28-21)30-24(26)29-22(17-8-4-3-5-9-17)18-10-6-7-11-19(18)23(31)32;1-12-6-7-17-15(8-12)13(2)24-21(25-17)26-20(22)23-11-16-18(28-4)9-14(27-3)10-19(16)29-5;1-11-8-9-17-16(10-11)13(3)23-20(24-17)25-19(21)22-12(2)14-6-4-5-7-15(14)18(26)27;1-11-8-9-16-15(10-11)13(3)22-19(23-16)24-18(20)21-12(2)14-6-4-5-7-17(14)25;1-10-6-7-15-13(8-10)11(2)22-18(23-15)24-17(20)21-9-12-4-3-5-14(19)16(12)25;1-11(13-7-3-4-8-14(13)16(24)25)21-17(19)23-18-20-10-12-6-2-5-9-15(12)22-18;1-11-7-8-15-14(9-11)12(2)21-18(22-15)23-17(19)20-10-13-5-3-4-6-16(13)24;1-11-6-7-15-14(9-11)12(2)21-17(22-15)23-16(18)20-10-13-5-3-4-8-19-13/h3-14H,1-2H3,(H,31,32)(H2,26,27,28,30);6-11H,1-5H3,(H2,22,24,25,26);4-10H,1-3H3,(H,26,27)(H2,21,23,24,25);4-10,25H,1-3H3,(H2,20,22,23,24);3-9,25H,1-2H3,(H2,20,22,23,24);2-10H,1H3,(H,24,25)(H2,19,20,22,23);3-10,24H,1-2H3,(H2,19,21,22,23);3-10H,1-2H3,(H2,18,21,22,23).

What are the key properties of 1-[(3-chloro-2-hydroxyphenyl)methylidene]-2-(4,6-dimethylquinazolin-2-yl)guanidine;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-methylcarbonimidoyl]benzoic acid;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-phenylcarbonimidoyl]benzoic acid;2-(4,6-dimethylquinazolin-2-yl)-1-[1-(2-hydroxyphenyl)ethylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2-hydroxyphenyl)methylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-(pyridin-2-ylmethylidene)guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2,4,6-trimethoxyphenyl)methylidene]guanidine;2-[C-methyl-N-(N'-quinazolin-2-ylcarbamimidoyl)carbonimidoyl]benzoic acid?

1-[(3-chloro-2-hydroxyphenyl)methylidene]-2-(4,6-dimethylquinazolin-2-yl)guanidine;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-methylcarbonimidoyl]benzoic acid;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-phenylcarbonimidoyl]benzoic acid;2-(4,6-dimethylquinazolin-2-yl)-1-[1-(2-hydroxyphenyl)ethylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2-hydroxyphenyl)methylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-(pyridin-2-ylmethylidene)guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2,4,6-trimethoxyphenyl)methylidene]guanidine;2-[C-methyl-N-(N'-quinazolin-2-ylcarbamimidoyl)carbonimidoyl]benzoic acid has a molecular weight of 2822.61 g/mol, XLogP of 26.75, 23 rotatable bonds, 14 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-chloro-2-hydroxyphenyl)methylidene]-2-(4,6-dimethylquinazolin-2-yl)guanidine;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-methylcarbonimidoyl]benzoic acid;2-[N-[N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-C-phenylcarbonimidoyl]benzoic acid;2-(4,6-dimethylquinazolin-2-yl)-1-[1-(2-hydroxyphenyl)ethylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2-hydroxyphenyl)methylidene]guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-(pyridin-2-ylmethylidene)guanidine;2-(4,6-dimethylquinazolin-2-yl)-1-[(2,4,6-trimethoxyphenyl)methylidene]guanidine;2-[C-methyl-N-(N'-quinazolin-2-ylcarbamimidoyl)carbonimidoyl]benzoic acid is sourced from PubChem (CID 157253665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).