propan-2-yl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

C26H28N2O4 — CID 2864787

About propan-2-yl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

propan-2-yl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 2864787) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is propan-2-yl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
• PubChem CID: 2864787
• Molecular Formula: C26H28N2O4
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.20
• IUPAC Name: propan-2-yl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
• SMILES: COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)C3c2cccnc2)cc1
• InChI: InChI=1S/C26H28N2O4/c1-15(2)32-26(30)23-16(3)28-21-12-19(17-7-9-20(31-4)10-8-17)13-22(29)25(21)24(23)18-6-5-11-27-14-18/h5-11,14-15,19,24,28H,12-13H2,1-4H3
• InChIKey: DNGHPWDDLCINAY-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 77.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?

The IUPAC name of propan-2-yl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 2864787) is propan-2-yl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

What is the SMILES notation for propan-2-yl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?

The canonical SMILES for propan-2-yl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)C3c2cccnc2)cc1.

What is the InChIKey of propan-2-yl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?

The InChIKey is DNGHPWDDLCINAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-15(2)32-26(30)23-16(3)28-21-12-19(17-7-9-20(31-4)10-8-17)13-22(29)25(21)24(23)18-6-5-11-27-14-18/h5-11,14-15,19,24,28H,12-13H2,1-4H3.

What are the key properties of propan-2-yl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?

propan-2-yl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 432.52 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 2864787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).