methyl 4-(5-chloro-2-morpholin-4-ylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate

C18H22ClN3O5 — CID 168564893

IUPACmethyl 4-(5-chloro-2-morpholin-4-ylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(Nc2cc(Cl)ccc2N2CCOCC2)C(=O)N(CCO)C1
InChIInChI=1S/C18H22ClN3O5/c1-26-18(25)13-11-22(4-7-23)17(24)16(13)20-14-10-12(19)2-3-15(14)21-5-8-27-9-6-21/h2-3,10,20,23H,4-9,11H2,1H3
InChIKeyKEZUALGECNCTLH-UHFFFAOYSA-N
MW395.84 g/mol
LogP0.85
Rot. Bonds6

About methyl 4-(5-chloro-2-morpholin-4-ylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate

methyl 4-(5-chloro-2-morpholin-4-ylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate (PubChem CID 168564893) has the molecular formula C18H22ClN3O5 and a molecular weight of 395.84 g/mol. Its IUPAC name is methyl 4-(5-chloro-2-morpholin-4-ylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-chloro-2-morpholin-4-ylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
PubChem CID168564893
Molecular FormulaC18H22ClN3O5
Molecular Weight395.84 g/mol
Exact Mass395.12
IUPAC Namemethyl 4-(5-chloro-2-morpholin-4-ylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(Nc2cc(Cl)ccc2N2CCOCC2)C(=O)N(CCO)C1
InChIInChI=1S/C18H22ClN3O5/c1-26-18(25)13-11-22(4-7-23)17(24)16(13)20-14-10-12(19)2-3-15(14)21-5-8-27-9-6-21/h2-3,10,20,23H,4-9,11H2,1H3
InChIKeyKEZUALGECNCTLH-UHFFFAOYSA-N
XLogP0.85
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-(5-chloro-2-morpholin-4-ylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate 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

methyl 4-(2,5-dichloroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168560945
methyl 1-(2-hydroxyethyl)-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168562267
methyl 4-(2-chloro-4-methylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168560884
methyl 4-(2-chloro-3-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168564566
methyl 4-[4-chloro-2-[hydroxy(phenyl)methyl]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168563700
methyl 1-(2-hydroxyethyl)-4-[2-(4-methylsulfonylpiperazin-1-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168564894
methyl 4-(4-fluoro-2-methoxy-3-methylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168565328
methyl 1-(2-hydroxyethyl)-4-[2-(2-morpholin-4-ylethylcarbamoyl)anilino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168565746
methyl 4-[3-(4-chlorophenyl)anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168565770
methyl 4-(2,6-dichloro-4-iodoanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168562169
methyl 4-(2-bromo-3,5-difluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168562341
methyl 4-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168564465

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-chloro-2-morpholin-4-ylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate?
The IUPAC name of methyl 4-(5-chloro-2-morpholin-4-ylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate (CID 168564893) is methyl 4-(5-chloro-2-morpholin-4-ylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 4-(5-chloro-2-morpholin-4-ylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 4-(5-chloro-2-morpholin-4-ylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate is COC(=O)C1=C(Nc2cc(Cl)ccc2N2CCOCC2)C(=O)N(CCO)C1.
What is the InChIKey of methyl 4-(5-chloro-2-morpholin-4-ylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate?
The InChIKey is KEZUALGECNCTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O5/c1-26-18(25)13-11-22(4-7-23)17(24)16(13)20-14-10-12(19)2-3-15(14)21-5-8-27-9-6-21/h2-3,10,20,23H,4-9,11H2,1H3.
What are the key properties of methyl 4-(5-chloro-2-morpholin-4-ylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate?
methyl 4-(5-chloro-2-morpholin-4-ylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate has a molecular weight of 395.84 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-chloro-2-morpholin-4-ylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 168564893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).