N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(4-methoxyphenyl)methyl]-5-methoxy-1H-indol-3-yl]ethyl]-2-methoxybenzamide

C37H35N3O6 — CID 54695208

About N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(4-methoxyphenyl)methyl]-5-methoxy-1H-indol-3-yl]ethyl]-2-methoxybenzamide

N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(4-methoxyphenyl)methyl]-5-methoxy-1H-indol-3-yl]ethyl]-2-methoxybenzamide (PubChem CID 54695208) has the molecular formula C37H35N3O6 and a molecular weight of 617.70 g/mol. Its IUPAC name is N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(4-methoxyphenyl)methyl]-5-methoxy-1H-indol-3-yl]ethyl]-2-methoxybenzamide.

Molecular Properties

• Compound Name: N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(4-methoxyphenyl)methyl]-5-methoxy-1H-indol-3-yl]ethyl]-2-methoxybenzamide
• PubChem CID: 54695208
• Molecular Formula: C37H35N3O6
• Molecular Weight: 617.70 g/mol
• Exact Mass: 617.25
• IUPAC Name: N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(4-methoxyphenyl)methyl]-5-methoxy-1H-indol-3-yl]ethyl]-2-methoxybenzamide
• SMILES: COc1ccc(C(c2[nH]c3ccc(OC)cc3c2CCNC(=O)c2ccccc2OC)c2c(O)c3ccccc3n(C)c2=O)cc1
• InChI: InChI=1S/C37H35N3O6/c1-40-30-11-7-5-9-26(30)35(41)33(37(40)43)32(22-13-15-23(44-2)16-14-22)34-25(28-21-24(45-3)17-18-29(28)39-34)19-20-38-36(42)27-10-6-8-12-31(27)46-4/h5-18,21,32,39,41H,19-20H2,1-4H3,(H,38,42)
• InChIKey: QPVYRLSXFOISGA-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 114.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.70
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(4-methoxyphenyl)methyl]-5-methoxy-1H-indol-3-yl]ethyl]-2-methoxybenzamide?

The IUPAC name of N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(4-methoxyphenyl)methyl]-5-methoxy-1H-indol-3-yl]ethyl]-2-methoxybenzamide (CID 54695208) is N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(4-methoxyphenyl)methyl]-5-methoxy-1H-indol-3-yl]ethyl]-2-methoxybenzamide.

What is the SMILES notation for N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(4-methoxyphenyl)methyl]-5-methoxy-1H-indol-3-yl]ethyl]-2-methoxybenzamide?

The canonical SMILES for N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(4-methoxyphenyl)methyl]-5-methoxy-1H-indol-3-yl]ethyl]-2-methoxybenzamide is COc1ccc(C(c2[nH]c3ccc(OC)cc3c2CCNC(=O)c2ccccc2OC)c2c(O)c3ccccc3n(C)c2=O)cc1.

What is the InChIKey of N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(4-methoxyphenyl)methyl]-5-methoxy-1H-indol-3-yl]ethyl]-2-methoxybenzamide?

The InChIKey is QPVYRLSXFOISGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35N3O6/c1-40-30-11-7-5-9-26(30)35(41)33(37(40)43)32(22-13-15-23(44-2)16-14-22)34-25(28-21-24(45-3)17-18-29(28)39-34)19-20-38-36(42)27-10-6-8-12-31(27)46-4/h5-18,21,32,39,41H,19-20H2,1-4H3,(H,38,42).

What are the key properties of N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(4-methoxyphenyl)methyl]-5-methoxy-1H-indol-3-yl]ethyl]-2-methoxybenzamide?

N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(4-methoxyphenyl)methyl]-5-methoxy-1H-indol-3-yl]ethyl]-2-methoxybenzamide has a molecular weight of 617.70 g/mol, XLogP of 5.90, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(4-methoxyphenyl)methyl]-5-methoxy-1H-indol-3-yl]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 54695208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).