4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid

C15H15ClN2O3 — CID 10828520

IUPAC4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCOCC1
InChIInChI=1S/C15H15ClN2O3/c16-11-3-1-10(2-4-11)12-9-17-13(15(19)20)14(12)18-5-7-21-8-6-18/h1-4,9,17H,5-8H2,(H,19,20)
InChIKeyUFMHCHURMLZXOK-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.87
Rot. Bonds3

About 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid

4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid (PubChem CID 10828520) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid
PubChem CID10828520
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCOCC1
InChIInChI=1S/C15H15ClN2O3/c16-11-3-1-10(2-4-11)12-9-17-13(15(19)20)14(12)18-5-7-21-8-6-18/h1-4,9,17H,5-8H2,(H,19,20)
InChIKeyUFMHCHURMLZXOK-UHFFFAOYSA-N
XLogP2.87
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid 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 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid (CID 10828520) is 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid is O=C(O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCOCC1.
What is the InChIKey of 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid?
The InChIKey is UFMHCHURMLZXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-11-3-1-10(2-4-11)12-9-17-13(15(19)20)14(12)18-5-7-21-8-6-18/h1-4,9,17H,5-8H2,(H,19,20).
What are the key properties of 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid?
4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid has a molecular weight of 306.75 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 10828520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).