ethyl 2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

C24H24N2O3 — CID 78444406

About ethyl 2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

ethyl 2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate (PubChem CID 78444406) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is ethyl 2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
• PubChem CID: 78444406
• Molecular Formula: C24H24N2O3
• Molecular Weight: 388.47 g/mol
• Exact Mass: 388.18
• IUPAC Name: ethyl 2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
• SMILES: CCOC(=O)C1C(C)=NC2=C(C(=O)CC(c3ccccc3)C2)C1c1cccnc1
• InChI: InChI=1S/C24H24N2O3/c1-3-29-24(28)21-15(2)26-19-12-18(16-8-5-4-6-9-16)13-20(27)23(19)22(21)17-10-7-11-25-14-17/h4-11,14,18,21-22H,3,12-13H2,1-2H3
• InChIKey: CRHQUFUJUNEFDV-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 68.62 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.47
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?

The IUPAC name of ethyl 2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate (CID 78444406) is ethyl 2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate.

What is the SMILES notation for ethyl 2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?

The canonical SMILES for ethyl 2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate is CCOC(=O)C1C(C)=NC2=C(C(=O)CC(c3ccccc3)C2)C1c1cccnc1.

What is the InChIKey of ethyl 2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?

The InChIKey is CRHQUFUJUNEFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-3-29-24(28)21-15(2)26-19-12-18(16-8-5-4-6-9-16)13-20(27)23(19)22(21)17-10-7-11-25-14-17/h4-11,14,18,21-22H,3,12-13H2,1-2H3.

What are the key properties of ethyl 2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?

ethyl 2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate is sourced from PubChem (CID 78444406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).