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

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Related Compounds

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide
CID 11504245
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexanamide
CID 11569290
4-(4-methoxyphenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436114
4-methoxy-N-quinolin-6-ylbenzamide
CID 1506499
2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 858406
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012
N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 2450324
2-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 2992425
4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 4915921
2-[7-[(3-Fluorophenyl)methoxy]quinolin-3-yl]acetamide
CID 86296847
N-(2-fluoroethyl)-3-(2-methoxyquinolin-8-yl)propanamide
CID 137636173
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8-(1,2,3,4-tetrahydroacridin-9-ylamino)octanamide
CID 155547149

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).