ethyl 4-[2-(4-carbamoylphenyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

C26H26N2O4 — CID 68977619

About ethyl 4-[2-(4-carbamoylphenyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

ethyl 4-[2-(4-carbamoylphenyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 68977619) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is ethyl 4-[2-(4-carbamoylphenyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-[2-(4-carbamoylphenyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
• PubChem CID: 68977619
• Molecular Formula: C26H26N2O4
• Molecular Weight: 430.50 g/mol
• Exact Mass: 430.19
• IUPAC Name: ethyl 4-[2-(4-carbamoylphenyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
• SMILES: CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccccc1-c1ccc(C(N)=O)cc1
• InChI: InChI=1S/C26H26N2O4/c1-3-32-26(31)22-15(2)28-20-9-6-10-21(29)24(20)23(22)19-8-5-4-7-18(19)16-11-13-17(14-12-16)25(27)30/h4-5,7-8,11-14,23,28H,3,6,9-10H2,1-2H3,(H2,27,30)
• InChIKey: XFAQIVJPQNARJQ-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 98.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.50
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-carbamoylphenyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?

The IUPAC name of ethyl 4-[2-(4-carbamoylphenyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 68977619) is ethyl 4-[2-(4-carbamoylphenyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

What is the SMILES notation for ethyl 4-[2-(4-carbamoylphenyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?

The canonical SMILES for ethyl 4-[2-(4-carbamoylphenyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccccc1-c1ccc(C(N)=O)cc1.

What is the InChIKey of ethyl 4-[2-(4-carbamoylphenyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?

The InChIKey is XFAQIVJPQNARJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-3-32-26(31)22-15(2)28-20-9-6-10-21(29)24(20)23(22)19-8-5-4-7-18(19)16-11-13-17(14-12-16)25(27)30/h4-5,7-8,11-14,23,28H,3,6,9-10H2,1-2H3,(H2,27,30).

What are the key properties of ethyl 4-[2-(4-carbamoylphenyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?

ethyl 4-[2-(4-carbamoylphenyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 430.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[2-(4-carbamoylphenyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 68977619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).