N-[2-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]ethyl]-2-(2-methoxyphenyl)acetamide

C33H35N3O5 — CID 53317842

About N-[2-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]ethyl]-2-(2-methoxyphenyl)acetamide

N-[2-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]ethyl]-2-(2-methoxyphenyl)acetamide (PubChem CID 53317842) has the molecular formula C33H35N3O5 and a molecular weight of 553.66 g/mol. Its IUPAC name is N-[2-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]ethyl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]ethyl]-2-(2-methoxyphenyl)acetamide
• PubChem CID: 53317842
• Molecular Formula: C33H35N3O5
• Molecular Weight: 553.66 g/mol
• Exact Mass: 553.26
• IUPAC Name: N-[2-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]ethyl]-2-(2-methoxyphenyl)acetamide
• SMILES: CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CCNC(=O)Cc3ccccc3OC)cc1C)C2=O
• InChI: InChI=1S/C33H35N3O5/c1-5-40-31-24-11-9-16-35-30(24)32(41-6-2)25-20-36(33(38)29(25)31)26-14-13-22(18-21(26)3)15-17-34-28(37)19-23-10-7-8-12-27(23)39-4/h7-14,16,18H,5-6,15,17,19-20H2,1-4H3,(H,34,37)
• InChIKey: ZWBDUXHGKGRKRI-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 89.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.66
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]ethyl]-2-(2-methoxyphenyl)acetamide?

The IUPAC name of N-[2-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]ethyl]-2-(2-methoxyphenyl)acetamide (CID 53317842) is N-[2-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]ethyl]-2-(2-methoxyphenyl)acetamide.

What is the SMILES notation for N-[2-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]ethyl]-2-(2-methoxyphenyl)acetamide?

The canonical SMILES for N-[2-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]ethyl]-2-(2-methoxyphenyl)acetamide is CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CCNC(=O)Cc3ccccc3OC)cc1C)C2=O.

What is the InChIKey of N-[2-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]ethyl]-2-(2-methoxyphenyl)acetamide?

The InChIKey is ZWBDUXHGKGRKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O5/c1-5-40-31-24-11-9-16-35-30(24)32(41-6-2)25-20-36(33(38)29(25)31)26-14-13-22(18-21(26)3)15-17-34-28(37)19-23-10-7-8-12-27(23)39-4/h7-14,16,18H,5-6,15,17,19-20H2,1-4H3,(H,34,37).

What are the key properties of N-[2-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]ethyl]-2-(2-methoxyphenyl)acetamide?

N-[2-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]ethyl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 553.66 g/mol, XLogP of 5.41, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]ethyl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 53317842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).