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

C24H21N5O2 — CID 51409811

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

(4S)-2-methyl-5-oxo-N-pyridin-2-yl-4-quinoxalin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 51409811) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is (4S)-2-methyl-5-oxo-N-pyridin-2-yl-4-quinoxalin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: (4S)-2-methyl-5-oxo-N-pyridin-2-yl-4-quinoxalin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 51409811
• Molecular Formula: C24H21N5O2
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.17
• IUPAC Name: (4S)-2-methyl-5-oxo-N-pyridin-2-yl-4-quinoxalin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cnc3ccccc3n2)C2=C(CCCC2=O)N1
• InChI: InChI=1S/C24H21N5O2/c1-14-21(24(31)29-20-11-4-5-12-25-20)23(22-17(27-14)9-6-10-19(22)30)18-13-26-15-7-2-3-8-16(15)28-18/h2-5,7-8,11-13,23,27H,6,9-10H2,1H3,(H,25,29,31)/t23-/m1/s1
• InChIKey: QIBBVLWWZQFVFP-HSZRJFAPSA-N
• XLogP: 3.63
• TPSA: 96.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (4S)-2-methyl-5-oxo-N-pyridin-2-yl-4-quinoxalin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 51409811) is (4S)-2-methyl-5-oxo-N-pyridin-2-yl-4-quinoxalin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

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

The canonical SMILES for (4S)-2-methyl-5-oxo-N-pyridin-2-yl-4-quinoxalin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cnc3ccccc3n2)C2=C(CCCC2=O)N1.

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

The InChIKey is QIBBVLWWZQFVFP-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-14-21(24(31)29-20-11-4-5-12-25-20)23(22-17(27-14)9-6-10-19(22)30)18-13-26-15-7-2-3-8-16(15)28-18/h2-5,7-8,11-13,23,27H,6,9-10H2,1H3,(H,25,29,31)/t23-/m1/s1.

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

(4S)-2-methyl-5-oxo-N-pyridin-2-yl-4-quinoxalin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-2-methyl-5-oxo-N-pyridin-2-yl-4-quinoxalin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 51409811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).