ethyl 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate

C17H19ClN2O3 — CID 10854227

IUPACethyl 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCOCC1
InChIInChI=1S/C17H19ClN2O3/c1-2-23-17(21)15-16(20-7-9-22-10-8-20)14(11-19-15)12-3-5-13(18)6-4-12/h3-6,11,19H,2,7-10H2,1H3
InChIKeyBKUMFSQRFJSRFA-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.35
Rot. Bonds4

About ethyl 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate

ethyl 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate (PubChem CID 10854227) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is ethyl 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
PubChem CID10854227
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Nameethyl 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCOCC1
InChIInChI=1S/C17H19ClN2O3/c1-2-23-17(21)15-16(20-7-9-22-10-8-20)14(11-19-15)12-3-5-13(18)6-4-12/h3-6,11,19H,2,7-10H2,1H3
InChIKeyBKUMFSQRFJSRFA-UHFFFAOYSA-N
XLogP3.35
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-chlorobenzyl)-2-methyl-1H-pyrrole-3-carboxylate
CID 2145753
ethyl 3-morpholin-4-yl-4-phenyl-1H-pyrrole-2-carboxylate
CID 3239963
Awd 140076
CID 163666
4-(4-Chlorophenyl)-3-[(2-dimethylaminoethyl)-methylamino]-pyrrol-2-carboxylic acid, methyl ester
CID 624006
4-(p-bromophenyl)-3-morpholino-1H-pyrrole-2-carboxylic acid methyl ester
CID 9842037
1-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]ethanone
CID 10685977
4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid
CID 10828520
ethyl 4-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-1H-pyrrole-2-carboxylate
CID 21632864
2-methylpropyl 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 21632865
methyl 3-amino-4-(2-fluorophenyl)-1H-pyrrole-2-carboxylate
CID 49815131
Pyrrole,1-acetyl-3-morpholino-2-methoxycarbonyl-
CID 540829
Pyrrole,1-benzoyl-3-morpholino-2-methoxycarbonyl
CID 570371

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate (CID 10854227) is ethyl 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCOCC1.
What is the InChIKey of ethyl 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate?
The InChIKey is BKUMFSQRFJSRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-2-23-17(21)15-16(20-7-9-22-10-8-20)14(11-19-15)12-3-5-13(18)6-4-12/h3-6,11,19H,2,7-10H2,1H3.
What are the key properties of ethyl 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate?
ethyl 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate has a molecular weight of 334.80 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 10854227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).