8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;2-cyclohexyl-3-methoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline

C68H62Cl2F3N13O7S — CID 159455491

About 8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;2-cyclohexyl-3-methoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline

8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;2-cyclohexyl-3-methoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline (PubChem CID 159455491) has the molecular formula C68H62Cl2F3N13O7S and a molecular weight of 1333.29 g/mol. Its IUPAC name is 8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;2-cyclohexyl-3-methoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline.

Molecular Properties

• Compound Name: 8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;2-cyclohexyl-3-methoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline
• PubChem CID: 159455491
• Molecular Formula: C68H62Cl2F3N13O7S
• Molecular Weight: 1333.29 g/mol
• Exact Mass: 1331.39
• IUPAC Name: 8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;2-cyclohexyl-3-methoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline
• SMILES: COc1ccc2c(OC)nc(-c3ccncc3)nc2c1Cl.COc1ccc2c(OC)nc(C(F)(F)F)nc2c1Cl.COc1nc2ccccc2nc1-c1cccs1.COc1nc2ccccc2nc1-n1nc(C)cc1C.COc1nc2ccccc2nc1C1CCCCC1
• InChI: InChI=1S/C15H12ClN3O2.C15H18N2O.C14H14N4O.C13H10N2OS.C11H8ClF3N2O2/c1-20-11-4-3-10-13(12(11)16)18-14(19-15(10)21-2)9-5-7-17-8-6-9;1-18-15-14(11-7-3-2-4-8-11)16-12-9-5-6-10-13(12)17-15;1-9-8-10(2)18(17-9)13-14(19-3)16-12-7-5-4-6-11(12)15-13;1-16-13-12(11-7-4-8-17-11)14-9-5-2-3-6-10(9)15-13;1-18-6-4-3-5-8(7(6)12)16-10(11(13,14)15)17-9(5)19-2/h3-8H,1-2H3;5-6,9-11H,2-4,7-8H2,1H3;4-8H,1-3H3;2-8H,1H3;3-4H,1-2H3
• InChIKey: LTXNLCAKCSQYPQ-UHFFFAOYSA-N
• XLogP: 16.18
• TPSA: 224.22 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1333.29
LogP ≤ 5	16.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;2-cyclohexyl-3-methoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline?

The IUPAC name of 8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;2-cyclohexyl-3-methoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline (CID 159455491) is 8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;2-cyclohexyl-3-methoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline.

What is the SMILES notation for 8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;2-cyclohexyl-3-methoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline?

The canonical SMILES for 8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;2-cyclohexyl-3-methoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline is COc1ccc2c(OC)nc(-c3ccncc3)nc2c1Cl.COc1ccc2c(OC)nc(C(F)(F)F)nc2c1Cl.COc1nc2ccccc2nc1-c1cccs1.COc1nc2ccccc2nc1-n1nc(C)cc1C.COc1nc2ccccc2nc1C1CCCCC1.

What is the InChIKey of 8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;2-cyclohexyl-3-methoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline?

The InChIKey is LTXNLCAKCSQYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2.C15H18N2O.C14H14N4O.C13H10N2OS.C11H8ClF3N2O2/c1-20-11-4-3-10-13(12(11)16)18-14(19-15(10)21-2)9-5-7-17-8-6-9;1-18-15-14(11-7-3-2-4-8-11)16-12-9-5-6-10-13(12)17-15;1-9-8-10(2)18(17-9)13-14(19-3)16-12-7-5-4-6-11(12)15-13;1-16-13-12(11-7-4-8-17-11)14-9-5-2-3-6-10(9)15-13;1-18-6-4-3-5-8(7(6)12)16-10(11(13,14)15)17-9(5)19-2/h3-8H,1-2H3;5-6,9-11H,2-4,7-8H2,1H3;4-8H,1-3H3;2-8H,1H3;3-4H,1-2H3.

What are the key properties of 8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;2-cyclohexyl-3-methoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline?

8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;2-cyclohexyl-3-methoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline has a molecular weight of 1333.29 g/mol, XLogP of 16.18, 11 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;2-cyclohexyl-3-methoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline is sourced from PubChem (CID 159455491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).