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

C16H17N2O4- — CID 21479706

IUPAC4-(4-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
SMILESCOc1ccc(-c2c[nH]c(C(=O)[O-])c2N2CCOCC2)cc1
InChIInChI=1S/C16H18N2O4/c1-21-12-4-2-11(3-5-12)13-10-17-14(16(19)20)15(13)18-6-8-22-9-7-18/h2-5,10,17H,6-9H2,1H3,(H,19,20)/p-1
InChIKeyZNJIYECBOJYBJD-UHFFFAOYSA-M
MW301.32 g/mol
LogP0.89
Rot. Bonds4

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

4-(4-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate (PubChem CID 21479706) has the molecular formula C16H17N2O4- and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
PubChem CID21479706
Molecular FormulaC16H17N2O4-
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name4-(4-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
SMILESCOc1ccc(-c2c[nH]c(C(=O)[O-])c2N2CCOCC2)cc1
InChIInChI=1S/C16H18N2O4/c1-21-12-4-2-11(3-5-12)13-10-17-14(16(19)20)15(13)18-6-8-22-9-7-18/h2-5,10,17H,6-9H2,1H3,(H,19,20)/p-1
InChIKeyZNJIYECBOJYBJD-UHFFFAOYSA-M
XLogP0.89
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 11822850
methyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 110193884
4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid
CID 57234201
methyl 4-(3-bromophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 10785031
1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone
CID 110172467
methyl (3-morpholin-4-yl-4-pyridin-4-yl-1H-pyrrol-2-yl) carbonate
CID 67620142
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
CID 14640948
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110556352
methyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate
CID 10946734

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate?
The IUPAC name of 4-(4-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate (CID 21479706) is 4-(4-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate?
The canonical SMILES for 4-(4-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate is COc1ccc(-c2c[nH]c(C(=O)[O-])c2N2CCOCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate?
The InChIKey is ZNJIYECBOJYBJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H18N2O4/c1-21-12-4-2-11(3-5-12)13-10-17-14(16(19)20)15(13)18-6-8-22-9-7-18/h2-5,10,17H,6-9H2,1H3,(H,19,20)/p-1.
What are the key properties of 4-(4-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate?
4-(4-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate has a molecular weight of 301.32 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 21479706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).