N-[2-[2-[(3-fluorophenyl)-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-1H-indol-3-yl]ethyl]acetamide

C29H26FN3O3 — CID 54695144

IUPACN-[2-[2-[(3-fluorophenyl)-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c(C(c2cccc(F)c2)c2c(O)c3ccccc3n(C)c2=O)[nH]c2ccccc12
InChIInChI=1S/C29H26FN3O3/c1-17(34)31-15-14-21-20-10-3-5-12-23(20)32-27(21)25(18-8-7-9-19(30)16-18)26-28(35)22-11-4-6-13-24(22)33(2)29(26)36/h3-13,16,25,32,35H,14-15H2,1-2H3,(H,31,34)
InChIKeyWIXKVOCBGKQORA-UHFFFAOYSA-N
MW483.54 g/mol
LogP4.72
Rot. Bonds6

About N-[2-[2-[(3-fluorophenyl)-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-1H-indol-3-yl]ethyl]acetamide

N-[2-[2-[(3-fluorophenyl)-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-1H-indol-3-yl]ethyl]acetamide (PubChem CID 54695144) has the molecular formula C29H26FN3O3 and a molecular weight of 483.54 g/mol. Its IUPAC name is N-[2-[2-[(3-fluorophenyl)-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(3-fluorophenyl)-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-1H-indol-3-yl]ethyl]acetamide
PubChem CID54695144
Molecular FormulaC29H26FN3O3
Molecular Weight483.54 g/mol
Exact Mass483.20
IUPAC NameN-[2-[2-[(3-fluorophenyl)-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c(C(c2cccc(F)c2)c2c(O)c3ccccc3n(C)c2=O)[nH]c2ccccc12
InChIInChI=1S/C29H26FN3O3/c1-17(34)31-15-14-21-20-10-3-5-12-23(20)32-27(21)25(18-8-7-9-19(30)16-18)26-28(35)22-11-4-6-13-24(22)33(2)29(26)36/h3-13,16,25,32,35H,14-15H2,1-2H3,(H,31,34)
InChIKeyWIXKVOCBGKQORA-UHFFFAOYSA-N
XLogP4.72
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3-fluorophenyl)-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[(3-fluorophenyl)-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-1H-indol-3-yl]ethyl]acetamide (CID 54695144) is N-[2-[2-[(3-fluorophenyl)-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[(3-fluorophenyl)-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[(3-fluorophenyl)-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-1H-indol-3-yl]ethyl]acetamide is CC(=O)NCCc1c(C(c2cccc(F)c2)c2c(O)c3ccccc3n(C)c2=O)[nH]c2ccccc12.
What is the InChIKey of N-[2-[2-[(3-fluorophenyl)-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is WIXKVOCBGKQORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN3O3/c1-17(34)31-15-14-21-20-10-3-5-12-23(20)32-27(21)25(18-8-7-9-19(30)16-18)26-28(35)22-11-4-6-13-24(22)33(2)29(26)36/h3-13,16,25,32,35H,14-15H2,1-2H3,(H,31,34).
What are the key properties of N-[2-[2-[(3-fluorophenyl)-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-1H-indol-3-yl]ethyl]acetamide?
N-[2-[2-[(3-fluorophenyl)-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 483.54 g/mol, XLogP of 4.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3-fluorophenyl)-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 54695144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).