(4R)-4-(4-hydroxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide

C24H24N2O3 — CID 7447416

About (4R)-4-(4-hydroxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide

(4R)-4-(4-hydroxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (PubChem CID 7447416) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is (4R)-4-(4-hydroxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: (4R)-4-(4-hydroxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
• PubChem CID: 7447416
• Molecular Formula: C24H24N2O3
• Molecular Weight: 388.47 g/mol
• Exact Mass: 388.18
• IUPAC Name: (4R)-4-(4-hydroxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
• SMILES: CC1=NC2=C(C(=O)CCC2)[C@@H](c2ccc(O)cc2)C1C(=O)Nc1ccccc1C
• InChI: InChI=1S/C24H24N2O3/c1-14-6-3-4-7-18(14)26-24(29)21-15(2)25-19-8-5-9-20(28)23(19)22(21)16-10-12-17(27)13-11-16/h3-4,6-7,10-13,21-22,27H,5,8-9H2,1-2H3,(H,26,29)/t21?,22-/m0/s1
• InChIKey: PLWBGKKKNWNSAA-KEKNWZKVSA-N
• XLogP: 4.52
• TPSA: 78.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.47
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-hydroxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?

The IUPAC name of (4R)-4-(4-hydroxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (CID 7447416) is (4R)-4-(4-hydroxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide.

What is the SMILES notation for (4R)-4-(4-hydroxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?

The canonical SMILES for (4R)-4-(4-hydroxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide is CC1=NC2=C(C(=O)CCC2)[C@@H](c2ccc(O)cc2)C1C(=O)Nc1ccccc1C.

What is the InChIKey of (4R)-4-(4-hydroxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?

The InChIKey is PLWBGKKKNWNSAA-KEKNWZKVSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-14-6-3-4-7-18(14)26-24(29)21-15(2)25-19-8-5-9-20(28)23(19)22(21)16-10-12-17(27)13-11-16/h3-4,6-7,10-13,21-22,27H,5,8-9H2,1-2H3,(H,26,29)/t21?,22-/m0/s1.

What are the key properties of (4R)-4-(4-hydroxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?

(4R)-4-(4-hydroxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-(4-hydroxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide is sourced from PubChem (CID 7447416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).