4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenylpyrrol-3-yl]benzoic acid

C27H26N2O4 — CID 16752212

IUPAC4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenylpyrrol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccccc3)n(CCN3CCOCC3)c2-c2ccco2)cc1
InChIInChI=1S/C27H26N2O4/c30-27(31)22-10-8-20(9-11-22)23-19-24(21-5-2-1-3-6-21)29(26(23)25-7-4-16-33-25)13-12-28-14-17-32-18-15-28/h1-11,16,19H,12-15,17-18H2,(H,30,31)
InChIKeyLIQBSQZNFVOINZ-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.11
Rot. Bonds7

About 4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenylpyrrol-3-yl]benzoic acid

4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenylpyrrol-3-yl]benzoic acid (PubChem CID 16752212) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenylpyrrol-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenylpyrrol-3-yl]benzoic acid
PubChem CID16752212
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenylpyrrol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccccc3)n(CCN3CCOCC3)c2-c2ccco2)cc1
InChIInChI=1S/C27H26N2O4/c30-27(31)22-10-8-20(9-11-22)23-19-24(21-5-2-1-3-6-21)29(26(23)25-7-4-16-33-25)13-12-28-14-17-32-18-15-28/h1-11,16,19H,12-15,17-18H2,(H,30,31)
InChIKeyLIQBSQZNFVOINZ-UHFFFAOYSA-N
XLogP5.11
TPSA67.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenylpyrrol-3-yl]benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-(furan-2-yl)-1-methyl-5-pyridin-4-ylpyrrol-3-yl]benzoic acid
CID 16752177
3-[2-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrol-3-yl]-3-oxopropanoic acid
CID 170887151
4-[5-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)furan-2-yl]benzoic acid
CID 15527513
2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 2148149
4-chloro-3-[4-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39234276
3-[4-(furan-2-yl)phenyl]benzoic acid
CID 168527049
4-[4,5-dihydroxy-1-(2-morpholin-4-ylethyl)-2-phenylpyrrole-3-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 123449079
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 749145
2-[4-(furan-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 168524915
2-[2-(furan-2-carbonylamino)ethyl]-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxylic acid
CID 42669779
1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide
CID 2881509
4-(carboxymethyl)-3-(furan-2-yl)benzoic acid
CID 67569971

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenylpyrrol-3-yl]benzoic acid?
The IUPAC name of 4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenylpyrrol-3-yl]benzoic acid (CID 16752212) is 4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenylpyrrol-3-yl]benzoic acid.
What is the SMILES notation for 4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenylpyrrol-3-yl]benzoic acid?
The canonical SMILES for 4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenylpyrrol-3-yl]benzoic acid is O=C(O)c1ccc(-c2cc(-c3ccccc3)n(CCN3CCOCC3)c2-c2ccco2)cc1.
What is the InChIKey of 4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenylpyrrol-3-yl]benzoic acid?
The InChIKey is LIQBSQZNFVOINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c30-27(31)22-10-8-20(9-11-22)23-19-24(21-5-2-1-3-6-21)29(26(23)25-7-4-16-33-25)13-12-28-14-17-32-18-15-28/h1-11,16,19H,12-15,17-18H2,(H,30,31).
What are the key properties of 4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenylpyrrol-3-yl]benzoic acid?
4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenylpyrrol-3-yl]benzoic acid has a molecular weight of 442.52 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenylpyrrol-3-yl]benzoic acid is sourced from PubChem (CID 16752212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).