8-chloro-4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;8-chloro-4-methoxy-7-methyl-2-(trifluoromethyl)quinazoline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;1-methoxy-6,7-dimethyl-3-phenylisoquinoline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline

C85H78Cl2F3N15O6S — CID 158223007

IUPAC8-chloro-4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;8-chloro-4-methoxy-7-methyl-2-(trifluoromethyl)quinazoline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;1-methoxy-6,7-dimethyl-3-phenylisoquinoline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline
SMILESCOc1nc(-c2ccccc2)cc2cc(C)c(C)cc12.COc1nc(-c2ccncc2)nc2c(Cl)c(C)ccc12.COc1nc(C(F)(F)F)nc2c(Cl)c(C)ccc12.COc1nc2ccccc2nc1-c1cccs1.COc1nc2ccccc2nc1-n1nc(C)cc1C.COc1nc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C18H17NO.C15H12ClN3O.C14H14N4O.C14H17N3O.C13H10N2OS.C11H8ClF3N2O/c1-12-9-15-11-17(14-7-5-4-6-8-14)19-18(20-3)16(15)10-13(12)2;1-9-3-4-11-13(12(9)16)18-14(19-15(11)20-2)10-5-7-17-8-6-10;1-9-8-10(2)18(17-9)13-14(19-3)16-12-7-5-4-6-11(12)15-13;1-18-14-13(17-9-5-2-6-10-17)15-11-7-3-4-8-12(11)16-14;1-16-13-12(11-7-4-8-17-11)14-9-5-2-3-6-10(9)15-13;1-5-3-4-6-8(7(5)12)16-10(11(13,14)15)17-9(6)18-2/h4-11H,1-3H3;3-8H,1-2H3;4-8H,1-3H3;3-4,7-8H,2,5-6,9-10H2,1H3;2-8H,1H3;3-4H,1-2H3
InChIKeyGDLWNDJTRQCZDI-UHFFFAOYSA-N
MW1565.62 g/mol
LogP20.25
Rot. Bonds11

About 8-chloro-4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;8-chloro-4-methoxy-7-methyl-2-(trifluoromethyl)quinazoline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;1-methoxy-6,7-dimethyl-3-phenylisoquinoline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline

8-chloro-4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;8-chloro-4-methoxy-7-methyl-2-(trifluoromethyl)quinazoline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;1-methoxy-6,7-dimethyl-3-phenylisoquinoline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline (PubChem CID 158223007) has the molecular formula C85H78Cl2F3N15O6S and a molecular weight of 1565.62 g/mol. Its IUPAC name is 8-chloro-4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;8-chloro-4-methoxy-7-methyl-2-(trifluoromethyl)quinazoline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;1-methoxy-6,7-dimethyl-3-phenylisoquinoline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline.

Molecular Properties

Compound Name8-chloro-4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;8-chloro-4-methoxy-7-methyl-2-(trifluoromethyl)quinazoline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;1-methoxy-6,7-dimethyl-3-phenylisoquinoline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline
PubChem CID158223007
Molecular FormulaC85H78Cl2F3N15O6S
Molecular Weight1565.62 g/mol
Exact Mass1563.53
IUPAC Name8-chloro-4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;8-chloro-4-methoxy-7-methyl-2-(trifluoromethyl)quinazoline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;1-methoxy-6,7-dimethyl-3-phenylisoquinoline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline
SMILESCOc1nc(-c2ccccc2)cc2cc(C)c(C)cc12.COc1nc(-c2ccncc2)nc2c(Cl)c(C)ccc12.COc1nc(C(F)(F)F)nc2c(Cl)c(C)ccc12.COc1nc2ccccc2nc1-c1cccs1.COc1nc2ccccc2nc1-n1nc(C)cc1C.COc1nc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C18H17NO.C15H12ClN3O.C14H14N4O.C14H17N3O.C13H10N2OS.C11H8ClF3N2O/c1-12-9-15-11-17(14-7-5-4-6-8-14)19-18(20-3)16(15)10-13(12)2;1-9-3-4-11-13(12(9)16)18-14(19-15(11)20-2)10-5-7-17-8-6-10;1-9-8-10(2)18(17-9)13-14(19-3)16-12-7-5-4-6-11(12)15-13;1-18-14-13(17-9-5-2-6-10-17)15-11-7-3-4-8-12(11)16-14;1-16-13-12(11-7-4-8-17-11)14-9-5-2-3-6-10(9)15-13;1-5-3-4-6-8(7(5)12)16-10(11(13,14)15)17-9(6)18-2/h4-11H,1-3H3;3-8H,1-2H3;4-8H,1-3H3;3-4,7-8H,2,5-6,9-10H2,1H3;2-8H,1H3;3-4H,1-2H3
InChIKeyGDLWNDJTRQCZDI-UHFFFAOYSA-N
XLogP20.25
TPSA231.12 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds11
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001565.62
LogP ≤ 520.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 8-chloro-4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;8-chloro-4-methoxy-7-methyl-2-(trifluoromethyl)quinazoline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;1-methoxy-6,7-dimethyl-3-phenylisoquinoline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline with MolForge

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Launch Full Analysis

Related Compounds

N-(1-benzothiophen-3-ylmethyl)-3-methoxyquinoxalin-2-amine;N-benzyl-3-methoxyquinoxalin-2-amine;8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline;2,3-dimethoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline
CID 157118265
2-[2-(1-Benzothiophen-3-yl)ethyl]-3-methoxyquinoxaline;8-chloro-4-methoxy-7-methyl-2-(trifluoromethyl)quinazoline;2,3-dimethoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(2-phenylethyl)quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;4-methoxy-1-piperidin-1-ylisoquinoline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxyquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline
CID 158411834
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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;8-chloro-4-methoxy-7-methyl-2-(trifluoromethyl)quinazoline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;1-methoxy-6,7-dimethyl-3-phenylisoquinoline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline?
The IUPAC name of 8-chloro-4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;8-chloro-4-methoxy-7-methyl-2-(trifluoromethyl)quinazoline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;1-methoxy-6,7-dimethyl-3-phenylisoquinoline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline (CID 158223007) is 8-chloro-4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;8-chloro-4-methoxy-7-methyl-2-(trifluoromethyl)quinazoline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;1-methoxy-6,7-dimethyl-3-phenylisoquinoline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline.
What is the SMILES notation for 8-chloro-4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;8-chloro-4-methoxy-7-methyl-2-(trifluoromethyl)quinazoline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;1-methoxy-6,7-dimethyl-3-phenylisoquinoline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline?
The canonical SMILES for 8-chloro-4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;8-chloro-4-methoxy-7-methyl-2-(trifluoromethyl)quinazoline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;1-methoxy-6,7-dimethyl-3-phenylisoquinoline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline is COc1nc(-c2ccccc2)cc2cc(C)c(C)cc12.COc1nc(-c2ccncc2)nc2c(Cl)c(C)ccc12.COc1nc(C(F)(F)F)nc2c(Cl)c(C)ccc12.COc1nc2ccccc2nc1-c1cccs1.COc1nc2ccccc2nc1-n1nc(C)cc1C.COc1nc2ccccc2nc1N1CCCCC1.
What is the InChIKey of 8-chloro-4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;8-chloro-4-methoxy-7-methyl-2-(trifluoromethyl)quinazoline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;1-methoxy-6,7-dimethyl-3-phenylisoquinoline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline?
The InChIKey is GDLWNDJTRQCZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO.C15H12ClN3O.C14H14N4O.C14H17N3O.C13H10N2OS.C11H8ClF3N2O/c1-12-9-15-11-17(14-7-5-4-6-8-14)19-18(20-3)16(15)10-13(12)2;1-9-3-4-11-13(12(9)16)18-14(19-15(11)20-2)10-5-7-17-8-6-10;1-9-8-10(2)18(17-9)13-14(19-3)16-12-7-5-4-6-11(12)15-13;1-18-14-13(17-9-5-2-6-10-17)15-11-7-3-4-8-12(11)16-14;1-16-13-12(11-7-4-8-17-11)14-9-5-2-3-6-10(9)15-13;1-5-3-4-6-8(7(5)12)16-10(11(13,14)15)17-9(6)18-2/h4-11H,1-3H3;3-8H,1-2H3;4-8H,1-3H3;3-4,7-8H,2,5-6,9-10H2,1H3;2-8H,1H3;3-4H,1-2H3.
What are the key properties of 8-chloro-4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;8-chloro-4-methoxy-7-methyl-2-(trifluoromethyl)quinazoline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;1-methoxy-6,7-dimethyl-3-phenylisoquinoline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline?
8-chloro-4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;8-chloro-4-methoxy-7-methyl-2-(trifluoromethyl)quinazoline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;1-methoxy-6,7-dimethyl-3-phenylisoquinoline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline has a molecular weight of 1565.62 g/mol, XLogP of 20.25, 11 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;8-chloro-4-methoxy-7-methyl-2-(trifluoromethyl)quinazoline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;1-methoxy-6,7-dimethyl-3-phenylisoquinoline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline is sourced from PubChem (CID 158223007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).