methyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate

C17H20N2O4 — CID 110193884

IUPACmethyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]cc(-c2cccc(OC)c2)c1N1CCOCC1
InChIInChI=1S/C17H20N2O4/c1-21-13-5-3-4-12(10-13)14-11-18-15(17(20)22-2)16(14)19-6-8-23-9-7-19/h3-5,10-11,18H,6-9H2,1-2H3
InChIKeyQNTKKQCUXJISDK-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.31
Rot. Bonds4

About methyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate

methyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate (PubChem CID 110193884) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
PubChem CID110193884
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Namemethyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]cc(-c2cccc(OC)c2)c1N1CCOCC1
InChIInChI=1S/C17H20N2O4/c1-21-13-5-3-4-12(10-13)14-11-18-15(17(20)22-2)16(14)19-6-8-23-9-7-19/h3-5,10-11,18H,6-9H2,1-2H3
InChIKeyQNTKKQCUXJISDK-UHFFFAOYSA-N
XLogP2.31
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3-bromophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 10785031
methyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 11822850
4-(4-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 21479706
ethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate
CID 71273464
methyl 5-(3-methoxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
CID 117225207
4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid
CID 57234201
methyl 3-amino-2-morpholin-4-ylbenzoate
CID 112577589
methyl (3-morpholin-4-yl-4-pyridin-4-yl-1H-pyrrol-2-yl) carbonate
CID 67620142
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
methyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate
CID 10946734
5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3239467
1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone
CID 110172467

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate (CID 110193884) is methyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate is COC(=O)c1[nH]cc(-c2cccc(OC)c2)c1N1CCOCC1.
What is the InChIKey of methyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate?
The InChIKey is QNTKKQCUXJISDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-21-13-5-3-4-12(10-13)14-11-18-15(17(20)22-2)16(14)19-6-8-23-9-7-19/h3-5,10-11,18H,6-9H2,1-2H3.
What are the key properties of methyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate?
methyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 110193884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).