3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-3-ylmethyl)propanamide

C25H26FN3O3 — CID 45187710

IUPAC3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-3-ylmethyl)propanamide
SMILESCOc1ccc(CC2(CCC(=O)NCc3cnc4ccccc4c3)CCC(=O)N2)c(F)c1
InChIInChI=1S/C25H26FN3O3/c1-32-20-7-6-19(21(26)13-20)14-25(11-9-24(31)29-25)10-8-23(30)28-16-17-12-18-4-2-3-5-22(18)27-15-17/h2-7,12-13,15H,8-11,14,16H2,1H3,(H,28,30)(H,29,31)
InChIKeyMHJXALGUOWZRDJ-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.67
Rot. Bonds8

About 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-3-ylmethyl)propanamide

3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-3-ylmethyl)propanamide (PubChem CID 45187710) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-3-ylmethyl)propanamide
PubChem CID45187710
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-3-ylmethyl)propanamide
SMILESCOc1ccc(CC2(CCC(=O)NCc3cnc4ccccc4c3)CCC(=O)N2)c(F)c1
InChIInChI=1S/C25H26FN3O3/c1-32-20-7-6-19(21(26)13-20)14-25(11-9-24(31)29-25)10-8-23(30)28-16-17-12-18-4-2-3-5-22(18)27-15-17/h2-7,12-13,15H,8-11,14,16H2,1H3,(H,28,30)(H,29,31)
InChIKeyMHJXALGUOWZRDJ-UHFFFAOYSA-N
XLogP3.67
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-3-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-3-ylmethyl)propanamide?
The IUPAC name of 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-3-ylmethyl)propanamide (CID 45187710) is 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-3-ylmethyl)propanamide is COc1ccc(CC2(CCC(=O)NCc3cnc4ccccc4c3)CCC(=O)N2)c(F)c1.
What is the InChIKey of 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-3-ylmethyl)propanamide?
The InChIKey is MHJXALGUOWZRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-32-20-7-6-19(21(26)13-20)14-25(11-9-24(31)29-25)10-8-23(30)28-16-17-12-18-4-2-3-5-22(18)27-15-17/h2-7,12-13,15H,8-11,14,16H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-3-ylmethyl)propanamide?
3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-3-ylmethyl)propanamide has a molecular weight of 435.50 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-3-ylmethyl)propanamide is sourced from PubChem (CID 45187710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).