N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethyl-N-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl)methyl]propanamide

C33H34N4O3 — CID 16736391

About N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethyl-N-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl)methyl]propanamide

N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethyl-N-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl)methyl]propanamide (PubChem CID 16736391) has the molecular formula C33H34N4O3 and a molecular weight of 534.66 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethyl-N-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl)methyl]propanamide.

Molecular Properties

• Compound Name: N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethyl-N-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl)methyl]propanamide
• PubChem CID: 16736391
• Molecular Formula: C33H34N4O3
• Molecular Weight: 534.66 g/mol
• Exact Mass: 534.26
• IUPAC Name: N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethyl-N-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl)methyl]propanamide
• SMILES: COc1ccc(C(C)N(Cc2cnc3cc4c(cc3c2)CC2(C4)C(=O)Nc3ncccc32)C(=O)C(C)(C)C)cc1
• InChI: InChI=1S/C33H34N4O3/c1-20(22-8-10-26(40-5)11-9-22)37(31(39)32(2,3)4)19-21-13-23-14-24-16-33(17-25(24)15-28(23)35-18-21)27-7-6-12-34-29(27)36-30(33)38/h6-15,18,20H,16-17,19H2,1-5H3,(H,34,36,38)
• InChIKey: VTUKTVBFAHQMNR-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.66
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethyl-N-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl)methyl]propanamide?

The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethyl-N-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl)methyl]propanamide (CID 16736391) is N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethyl-N-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl)methyl]propanamide.

What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethyl-N-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl)methyl]propanamide?

The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethyl-N-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl)methyl]propanamide is COc1ccc(C(C)N(Cc2cnc3cc4c(cc3c2)CC2(C4)C(=O)Nc3ncccc32)C(=O)C(C)(C)C)cc1.

What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethyl-N-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl)methyl]propanamide?

The InChIKey is VTUKTVBFAHQMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O3/c1-20(22-8-10-26(40-5)11-9-22)37(31(39)32(2,3)4)19-21-13-23-14-24-16-33(17-25(24)15-28(23)35-18-21)27-7-6-12-34-29(27)36-30(33)38/h6-15,18,20H,16-17,19H2,1-5H3,(H,34,36,38).

What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethyl-N-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl)methyl]propanamide?

N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethyl-N-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl)methyl]propanamide has a molecular weight of 534.66 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethyl-N-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl)methyl]propanamide is sourced from PubChem (CID 16736391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).