8-methyl-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide

C25H24N2O2S — CID 94073763

About 8-methyl-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide

8-methyl-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 94073763) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is 8-methyl-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: 8-methyl-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide
• PubChem CID: 94073763
• Molecular Formula: C25H24N2O2S
• Molecular Weight: 416.55 g/mol
• Exact Mass: 416.16
• IUPAC Name: 8-methyl-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide
• SMILES: Cc1ccc(-c2c(C(=O)NC[C@H]3CCCO3)sc3c2cnc2ccc(C)cc23)cc1
• InChI: InChI=1S/C25H24N2O2S/c1-15-5-8-17(9-6-15)22-20-14-26-21-10-7-16(2)12-19(21)23(20)30-24(22)25(28)27-13-18-4-3-11-29-18/h5-10,12,14,18H,3-4,11,13H2,1-2H3,(H,27,28)/t18-/m1/s1
• InChIKey: AABLVYBSBQVLDE-GOSISDBHSA-N
• XLogP: 5.64
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.55
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide?

The IUPAC name of 8-methyl-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide (CID 94073763) is 8-methyl-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide.

What is the SMILES notation for 8-methyl-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide?

The canonical SMILES for 8-methyl-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide is Cc1ccc(-c2c(C(=O)NC[C@H]3CCCO3)sc3c2cnc2ccc(C)cc23)cc1.

What is the InChIKey of 8-methyl-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide?

The InChIKey is AABLVYBSBQVLDE-GOSISDBHSA-N. The full InChI is InChI=1S/C25H24N2O2S/c1-15-5-8-17(9-6-15)22-20-14-26-21-10-7-16(2)12-19(21)23(20)30-24(22)25(28)27-13-18-4-3-11-29-18/h5-10,12,14,18H,3-4,11,13H2,1-2H3,(H,27,28)/t18-/m1/s1.

What are the key properties of 8-methyl-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide?

8-methyl-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 94073763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).