N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

C28H23N3O3S — CID 997168

About N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (PubChem CID 997168) has the molecular formula C28H23N3O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
• PubChem CID: 997168
• Molecular Formula: C28H23N3O3S
• Molecular Weight: 481.58 g/mol
• Exact Mass: 481.15
• IUPAC Name: N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
• SMILES: Cc1ccc(-c2c(C)sc(NC(=O)c3cc(-c4ccc(C)o4)nc4ccccc34)c2C(N)=O)cc1
• InChI: InChI=1S/C28H23N3O3S/c1-15-8-11-18(12-9-15)24-17(3)35-28(25(24)26(29)32)31-27(33)20-14-22(23-13-10-16(2)34-23)30-21-7-5-4-6-19(20)21/h4-14H,1-3H3,(H2,29,32)(H,31,33)
• InChIKey: MQUJUADCXBCECM-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 98.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.58
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?

The IUPAC name of N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (CID 997168) is N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.

What is the SMILES notation for N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?

The canonical SMILES for N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2c(C)sc(NC(=O)c3cc(-c4ccc(C)o4)nc4ccccc34)c2C(N)=O)cc1.

What is the InChIKey of N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?

The InChIKey is MQUJUADCXBCECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3S/c1-15-8-11-18(12-9-15)24-17(3)35-28(25(24)26(29)32)31-27(33)20-14-22(23-13-10-16(2)34-23)30-21-7-5-4-6-19(20)21/h4-14H,1-3H3,(H2,29,32)(H,31,33).

What are the key properties of N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?

N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 6.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 997168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).