N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(3-methoxyphenyl)methyl]-1H-indol-3-yl]ethyl]-2,4-dimethoxybenzamide

C37H35N3O6 — CID 54695174

About N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(3-methoxyphenyl)methyl]-1H-indol-3-yl]ethyl]-2,4-dimethoxybenzamide

N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(3-methoxyphenyl)methyl]-1H-indol-3-yl]ethyl]-2,4-dimethoxybenzamide (PubChem CID 54695174) 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)-(3-methoxyphenyl)methyl]-1H-indol-3-yl]ethyl]-2,4-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(3-methoxyphenyl)methyl]-1H-indol-3-yl]ethyl]-2,4-dimethoxybenzamide
• PubChem CID: 54695174
• 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)-(3-methoxyphenyl)methyl]-1H-indol-3-yl]ethyl]-2,4-dimethoxybenzamide
• SMILES: COc1cccc(C(c2[nH]c3ccccc3c2CCNC(=O)c2ccc(OC)cc2OC)c2c(O)c3ccccc3n(C)c2=O)c1
• InChI: InChI=1S/C37H35N3O6/c1-40-30-15-8-6-13-27(30)35(41)33(37(40)43)32(22-10-9-11-23(20-22)44-2)34-26(25-12-5-7-14-29(25)39-34)18-19-38-36(42)28-17-16-24(45-3)21-31(28)46-4/h5-17,20-21,32,39,41H,18-19H2,1-4H3,(H,38,42)
• InChIKey: DXDMATOZDSTPFL-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)-(3-methoxyphenyl)methyl]-1H-indol-3-yl]ethyl]-2,4-dimethoxybenzamide?

The IUPAC name of N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(3-methoxyphenyl)methyl]-1H-indol-3-yl]ethyl]-2,4-dimethoxybenzamide (CID 54695174) is N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(3-methoxyphenyl)methyl]-1H-indol-3-yl]ethyl]-2,4-dimethoxybenzamide.

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

The canonical SMILES for N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(3-methoxyphenyl)methyl]-1H-indol-3-yl]ethyl]-2,4-dimethoxybenzamide is COc1cccc(C(c2[nH]c3ccccc3c2CCNC(=O)c2ccc(OC)cc2OC)c2c(O)c3ccccc3n(C)c2=O)c1.

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

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

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

N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(3-methoxyphenyl)methyl]-1H-indol-3-yl]ethyl]-2,4-dimethoxybenzamide 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)-(3-methoxyphenyl)methyl]-1H-indol-3-yl]ethyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 54695174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).