4-(1H-indol-3-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C25H24N4O2 — CID 23917074

About 4-(1H-indol-3-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

4-(1H-indol-3-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 23917074) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 4-(1H-indol-3-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 23917074
• Molecular Formula: C25H24N4O2
• Molecular Weight: 412.49 g/mol
• Exact Mass: 412.19
• IUPAC Name: 4-(1H-indol-3-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: CC1=C(C(=O)Nc2cccc(C)n2)C(c2c[nH]c3ccccc23)C2=C(CCCC2=O)N1
• InChI: InChI=1S/C25H24N4O2/c1-14-7-5-12-21(27-14)29-25(31)22-15(2)28-19-10-6-11-20(30)24(19)23(22)17-13-26-18-9-4-3-8-16(17)18/h3-5,7-9,12-13,23,26,28H,6,10-11H2,1-2H3,(H,27,29,31)
• InChIKey: JPXWZHNAAAVPOA-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 86.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.49
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The IUPAC name of 4-(1H-indol-3-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 23917074) is 4-(1H-indol-3-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for 4-(1H-indol-3-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The canonical SMILES for 4-(1H-indol-3-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2cccc(C)n2)C(c2c[nH]c3ccccc23)C2=C(CCCC2=O)N1.

What is the InChIKey of 4-(1H-indol-3-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The InChIKey is JPXWZHNAAAVPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-14-7-5-12-21(27-14)29-25(31)22-15(2)28-19-10-6-11-20(30)24(19)23(22)17-13-26-18-9-4-3-8-16(17)18/h3-5,7-9,12-13,23,26,28H,6,10-11H2,1-2H3,(H,27,29,31).

What are the key properties of 4-(1H-indol-3-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

4-(1H-indol-3-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1H-indol-3-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 23917074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).