7-[5-chloro-2-[2-[2-methyl-4-oxo-6-[4-(trifluoromethoxy)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carbaldehyde;methoxymethane

C34H38ClF3N4O5S — CID 171568649

About 7-[5-chloro-2-[2-[2-methyl-4-oxo-6-[4-(trifluoromethoxy)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carbaldehyde;methoxymethane

7-[5-chloro-2-[2-[2-methyl-4-oxo-6-[4-(trifluoromethoxy)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carbaldehyde;methoxymethane (PubChem CID 171568649) has the molecular formula C34H38ClF3N4O5S and a molecular weight of 707.22 g/mol. Its IUPAC name is 7-[5-chloro-2-[2-[2-methyl-4-oxo-6-[4-(trifluoromethoxy)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carbaldehyde;methoxymethane.

Molecular Properties

• Compound Name: 7-[5-chloro-2-[2-[2-methyl-4-oxo-6-[4-(trifluoromethoxy)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carbaldehyde;methoxymethane
• PubChem CID: 171568649
• Molecular Formula: C34H38ClF3N4O5S
• Molecular Weight: 707.22 g/mol
• Exact Mass: 706.22
• IUPAC Name: 7-[5-chloro-2-[2-[2-methyl-4-oxo-6-[4-(trifluoromethoxy)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carbaldehyde;methoxymethane
• SMILES: COC.Cc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3c(c2=O)CC(N2CCC(OC(F)(F)F)CC2)CC3)c2scc(C=O)c2n1
• InChI: InChI=1S/C32H32ClF3N4O4S.C2H6O/c1-18-13-25(30-29(37-18)20(16-41)17-45-30)24-14-21(33)3-6-28(24)43-12-11-40-19(2)38-27-5-4-22(15-26(27)31(40)42)39-9-7-23(8-10-39)44-32(34,35)36;1-3-2/h3,6,13-14,16-17,22-23H,4-5,7-12,15H2,1-2H3;1-2H3
• InChIKey: ZNNVUURNZKBFLE-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 95.78 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.22
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[5-chloro-2-[2-[2-methyl-4-oxo-6-[4-(trifluoromethoxy)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carbaldehyde;methoxymethane?

The IUPAC name of 7-[5-chloro-2-[2-[2-methyl-4-oxo-6-[4-(trifluoromethoxy)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carbaldehyde;methoxymethane (CID 171568649) is 7-[5-chloro-2-[2-[2-methyl-4-oxo-6-[4-(trifluoromethoxy)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carbaldehyde;methoxymethane.

What is the SMILES notation for 7-[5-chloro-2-[2-[2-methyl-4-oxo-6-[4-(trifluoromethoxy)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carbaldehyde;methoxymethane?

The canonical SMILES for 7-[5-chloro-2-[2-[2-methyl-4-oxo-6-[4-(trifluoromethoxy)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carbaldehyde;methoxymethane is COC.Cc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3c(c2=O)CC(N2CCC(OC(F)(F)F)CC2)CC3)c2scc(C=O)c2n1.

What is the InChIKey of 7-[5-chloro-2-[2-[2-methyl-4-oxo-6-[4-(trifluoromethoxy)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carbaldehyde;methoxymethane?

The InChIKey is ZNNVUURNZKBFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClF3N4O4S.C2H6O/c1-18-13-25(30-29(37-18)20(16-41)17-45-30)24-14-21(33)3-6-28(24)43-12-11-40-19(2)38-27-5-4-22(15-26(27)31(40)42)39-9-7-23(8-10-39)44-32(34,35)36;1-3-2/h3,6,13-14,16-17,22-23H,4-5,7-12,15H2,1-2H3;1-2H3.

What are the key properties of 7-[5-chloro-2-[2-[2-methyl-4-oxo-6-[4-(trifluoromethoxy)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carbaldehyde;methoxymethane?

7-[5-chloro-2-[2-[2-methyl-4-oxo-6-[4-(trifluoromethoxy)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carbaldehyde;methoxymethane has a molecular weight of 707.22 g/mol, XLogP of 6.80, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-chloro-2-[2-[2-methyl-4-oxo-6-[4-(trifluoromethoxy)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carbaldehyde;methoxymethane is sourced from PubChem (CID 171568649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).