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

C23H22ClN3O2 — CID 7309166

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

(4R)-4-(2-chlorophenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (PubChem CID 7309166) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is (4R)-4-(2-chlorophenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: (4R)-4-(2-chlorophenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
• PubChem CID: 7309166
• Molecular Formula: C23H22ClN3O2
• Molecular Weight: 407.90 g/mol
• Exact Mass: 407.14
• IUPAC Name: (4R)-4-(2-chlorophenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
• SMILES: CC1=NC2=C(C(=O)CCC2)[C@H](c2ccccc2Cl)C1C(=O)Nc1cc(C)ccn1
• InChI: InChI=1S/C23H22ClN3O2/c1-13-10-11-25-19(12-13)27-23(29)20-14(2)26-17-8-5-9-18(28)22(17)21(20)15-6-3-4-7-16(15)24/h3-4,6-7,10-12,20-21H,5,8-9H2,1-2H3,(H,25,27,29)/t20?,21-/m1/s1
• InChIKey: XIVKKDRRNFEBRG-BPGUCPLFSA-N
• XLogP: 4.86
• TPSA: 71.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.90
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (4R)-4-(2-chlorophenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (CID 7309166) is (4R)-4-(2-chlorophenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide.

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

The canonical SMILES for (4R)-4-(2-chlorophenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide is CC1=NC2=C(C(=O)CCC2)[C@H](c2ccccc2Cl)C1C(=O)Nc1cc(C)ccn1.

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

The InChIKey is XIVKKDRRNFEBRG-BPGUCPLFSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-13-10-11-25-19(12-13)27-23(29)20-14(2)26-17-8-5-9-18(28)22(17)21(20)15-6-3-4-7-16(15)24/h3-4,6-7,10-12,20-21H,5,8-9H2,1-2H3,(H,25,27,29)/t20?,21-/m1/s1.

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

(4R)-4-(2-chlorophenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide has a molecular weight of 407.90 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-(2-chlorophenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide is sourced from PubChem (CID 7309166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).