[3-methoxy-4-[5-[(2-methoxyanilino)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] morpholine-4-carboxylate

C32H37N3O5 — CID 44514725

About [3-methoxy-4-[5-[(2-methoxyanilino)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] morpholine-4-carboxylate

[3-methoxy-4-[5-[(2-methoxyanilino)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] morpholine-4-carboxylate (PubChem CID 44514725) has the molecular formula C32H37N3O5 and a molecular weight of 543.66 g/mol. Its IUPAC name is [3-methoxy-4-[5-[(2-methoxyanilino)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] morpholine-4-carboxylate.

Molecular Properties

• Compound Name: [3-methoxy-4-[5-[(2-methoxyanilino)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] morpholine-4-carboxylate
• PubChem CID: 44514725
• Molecular Formula: C32H37N3O5
• Molecular Weight: 543.66 g/mol
• Exact Mass: 543.27
• IUPAC Name: [3-methoxy-4-[5-[(2-methoxyanilino)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] morpholine-4-carboxylate
• SMILES: COc1ccccc1NCc1c(-c2ccc(OC(=O)N3CCOCC3)cc2OC)ccc2c1C(C)=CC(C)(C)N2
• InChI: InChI=1S/C32H37N3O5/c1-21-19-32(2,3)34-27-13-12-23(25(30(21)27)20-33-26-8-6-7-9-28(26)37-4)24-11-10-22(18-29(24)38-5)40-31(36)35-14-16-39-17-15-35/h6-13,18-19,33-34H,14-17,20H2,1-5H3
• InChIKey: ZQWMUCLWNLKPBT-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 81.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.66
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[5-[(2-methoxyanilino)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] morpholine-4-carboxylate?

The IUPAC name of [3-methoxy-4-[5-[(2-methoxyanilino)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] morpholine-4-carboxylate (CID 44514725) is [3-methoxy-4-[5-[(2-methoxyanilino)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] morpholine-4-carboxylate.

What is the SMILES notation for [3-methoxy-4-[5-[(2-methoxyanilino)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] morpholine-4-carboxylate?

The canonical SMILES for [3-methoxy-4-[5-[(2-methoxyanilino)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] morpholine-4-carboxylate is COc1ccccc1NCc1c(-c2ccc(OC(=O)N3CCOCC3)cc2OC)ccc2c1C(C)=CC(C)(C)N2.

What is the InChIKey of [3-methoxy-4-[5-[(2-methoxyanilino)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] morpholine-4-carboxylate?

The InChIKey is ZQWMUCLWNLKPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O5/c1-21-19-32(2,3)34-27-13-12-23(25(30(21)27)20-33-26-8-6-7-9-28(26)37-4)24-11-10-22(18-29(24)38-5)40-31(36)35-14-16-39-17-15-35/h6-13,18-19,33-34H,14-17,20H2,1-5H3.

What are the key properties of [3-methoxy-4-[5-[(2-methoxyanilino)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] morpholine-4-carboxylate?

[3-methoxy-4-[5-[(2-methoxyanilino)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] morpholine-4-carboxylate has a molecular weight of 543.66 g/mol, XLogP of 6.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-methoxy-4-[5-[(2-methoxyanilino)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] morpholine-4-carboxylate is sourced from PubChem (CID 44514725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).