4-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C32H33N3O5 — CID 3302825

About 4-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

4-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 3302825) has the molecular formula C32H33N3O5 and a molecular weight of 539.63 g/mol. Its IUPAC name is 4-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 4-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 3302825
• Molecular Formula: C32H33N3O5
• Molecular Weight: 539.63 g/mol
• Exact Mass: 539.24
• IUPAC Name: 4-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: COc1ccc(OCc2cc(C3C(C(=O)Nc4cc(C)ccn4)=C(C)NC4=C3C(=O)CCC4)ccc2OC)cc1
• InChI: InChI=1S/C32H33N3O5/c1-19-14-15-33-28(16-19)35-32(37)29-20(2)34-25-6-5-7-26(36)31(25)30(29)21-8-13-27(39-4)22(17-21)18-40-24-11-9-23(38-3)10-12-24/h8-17,30,34H,5-7,18H2,1-4H3,(H,33,35,37)
• InChIKey: QGZMEUWKCPAVQP-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 98.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.63
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The IUPAC name of 4-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 3302825) is 4-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for 4-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The canonical SMILES for 4-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is COc1ccc(OCc2cc(C3C(C(=O)Nc4cc(C)ccn4)=C(C)NC4=C3C(=O)CCC4)ccc2OC)cc1.

What is the InChIKey of 4-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The InChIKey is QGZMEUWKCPAVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O5/c1-19-14-15-33-28(16-19)35-32(37)29-20(2)34-25-6-5-7-26(36)31(25)30(29)21-8-13-27(39-4)22(17-21)18-40-24-11-9-23(38-3)10-12-24/h8-17,30,34H,5-7,18H2,1-4H3,(H,33,35,37).

What are the key properties of 4-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

4-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 539.63 g/mol, XLogP of 5.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3302825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).