(4S)-4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide

C24H23FN2O3 — CID 7447331

About (4S)-4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide

(4S)-4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (PubChem CID 7447331) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is (4S)-4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: (4S)-4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
• PubChem CID: 7447331
• Molecular Formula: C24H23FN2O3
• Molecular Weight: 406.46 g/mol
• Exact Mass: 406.17
• IUPAC Name: (4S)-4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
• SMILES: COc1ccccc1NC(=O)C1C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccccc1F
• InChI: InChI=1S/C24H23FN2O3/c1-14-21(24(29)27-17-10-5-6-13-20(17)30-2)22(15-8-3-4-9-16(15)25)23-18(26-14)11-7-12-19(23)28/h3-6,8-10,13,21-22H,7,11-12H2,1-2H3,(H,27,29)/t21?,22-/m0/s1
• InChIKey: QAMSXRZMRKMSPS-KEKNWZKVSA-N
• XLogP: 4.65
• TPSA: 67.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.46
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (4S)-4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (CID 7447331) is (4S)-4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide.

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

The canonical SMILES for (4S)-4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide is COc1ccccc1NC(=O)C1C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccccc1F.

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

The InChIKey is QAMSXRZMRKMSPS-KEKNWZKVSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-14-21(24(29)27-17-10-5-6-13-20(17)30-2)22(15-8-3-4-9-16(15)25)23-18(26-14)11-7-12-19(23)28/h3-6,8-10,13,21-22H,7,11-12H2,1-2H3,(H,27,29)/t21?,22-/m0/s1.

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

(4S)-4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide is sourced from PubChem (CID 7447331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).