N-[2-[2-[(6-chloro-4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]ethyl]acetamide

C30H25ClF3N3O3 — CID 54695331

About N-[2-[2-[(6-chloro-4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]ethyl]acetamide

N-[2-[2-[(6-chloro-4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]ethyl]acetamide (PubChem CID 54695331) has the molecular formula C30H25ClF3N3O3 and a molecular weight of 568.00 g/mol. Its IUPAC name is N-[2-[2-[(6-chloro-4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-[(6-chloro-4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]ethyl]acetamide
• PubChem CID: 54695331
• Molecular Formula: C30H25ClF3N3O3
• Molecular Weight: 568.00 g/mol
• Exact Mass: 567.15
• IUPAC Name: N-[2-[2-[(6-chloro-4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]ethyl]acetamide
• SMILES: CC(=O)NCCc1c(C(c2ccc(C(F)(F)F)cc2)c2c(O)c3cc(Cl)ccc3n(C)c2=O)[nH]c2ccccc12
• InChI: InChI=1S/C30H25ClF3N3O3/c1-16(38)35-14-13-21-20-5-3-4-6-23(20)36-27(21)25(17-7-9-18(10-8-17)30(32,33)34)26-28(39)22-15-19(31)11-12-24(22)37(2)29(26)40/h3-12,15,25,36,39H,13-14H2,1-2H3,(H,35,38)
• InChIKey: DOWDQFDAKMCZRH-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 87.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.00
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(6-chloro-4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]ethyl]acetamide?

The IUPAC name of N-[2-[2-[(6-chloro-4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]ethyl]acetamide (CID 54695331) is N-[2-[2-[(6-chloro-4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]ethyl]acetamide.

What is the SMILES notation for N-[2-[2-[(6-chloro-4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]ethyl]acetamide?

The canonical SMILES for N-[2-[2-[(6-chloro-4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]ethyl]acetamide is CC(=O)NCCc1c(C(c2ccc(C(F)(F)F)cc2)c2c(O)c3cc(Cl)ccc3n(C)c2=O)[nH]c2ccccc12.

What is the InChIKey of N-[2-[2-[(6-chloro-4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]ethyl]acetamide?

The InChIKey is DOWDQFDAKMCZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClF3N3O3/c1-16(38)35-14-13-21-20-5-3-4-6-23(20)36-27(21)25(17-7-9-18(10-8-17)30(32,33)34)26-28(39)22-15-19(31)11-12-24(22)37(2)29(26)40/h3-12,15,25,36,39H,13-14H2,1-2H3,(H,35,38).

What are the key properties of N-[2-[2-[(6-chloro-4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]ethyl]acetamide?

N-[2-[2-[(6-chloro-4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 568.00 g/mol, XLogP of 6.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[(6-chloro-4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 54695331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).