[4-(2,6-dimethoxyphenyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone

C17H20N2O4 — CID 119060897

IUPAC[4-(2,6-dimethoxyphenyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(OC)c1-c1c[nH]c(C(=O)N2CCOCC2)c1
InChIInChI=1S/C17H20N2O4/c1-21-14-4-3-5-15(22-2)16(14)12-10-13(18-11-12)17(20)19-6-8-23-9-7-19/h3-5,10-11,18H,6-9H2,1-2H3
InChIKeyGLDCWILHLHVDIB-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.17
Rot. Bonds4

About [4-(2,6-dimethoxyphenyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone

[4-(2,6-dimethoxyphenyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone (PubChem CID 119060897) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is [4-(2,6-dimethoxyphenyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2,6-dimethoxyphenyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone
PubChem CID119060897
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name[4-(2,6-dimethoxyphenyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(OC)c1-c1c[nH]c(C(=O)N2CCOCC2)c1
InChIInChI=1S/C17H20N2O4/c1-21-14-4-3-5-15(22-2)16(14)12-10-13(18-11-12)17(20)19-6-8-23-9-7-19/h3-5,10-11,18H,6-9H2,1-2H3
InChIKeyGLDCWILHLHVDIB-UHFFFAOYSA-N
XLogP2.17
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone
CID 72846429
(2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 131909764
(2-fluoro-6-methoxyphenyl)-morpholin-4-ylmethanone
CID 65432492
2-(3-methylphenyl)-1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 142825299
6-(morpholine-4-carbonyl)-4-oxo-1H-pyridine-3-carboxylic acid
CID 13216305
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
carbanide;[3-methoxy-2-[4-(morpholine-4-carbonyl)benzene-6-id-1-yl]phenyl]methylidenenickel
CID 167513512
[4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70758566
2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one
CID 125430948
N-(3-chloro-4-methoxyphenyl)-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096074
5-methoxy-2-(2-phenylmorpholine-4-carbonyl)-1H-pyridin-4-one
CID 128963323
6-(morpholine-4-carbonyl)-1H-pyridin-2-one
CID 107261416

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethoxyphenyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2,6-dimethoxyphenyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone (CID 119060897) is [4-(2,6-dimethoxyphenyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2,6-dimethoxyphenyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2,6-dimethoxyphenyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone is COc1cccc(OC)c1-c1c[nH]c(C(=O)N2CCOCC2)c1.
What is the InChIKey of [4-(2,6-dimethoxyphenyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone?
The InChIKey is GLDCWILHLHVDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-21-14-4-3-5-15(22-2)16(14)12-10-13(18-11-12)17(20)19-6-8-23-9-7-19/h3-5,10-11,18H,6-9H2,1-2H3.
What are the key properties of [4-(2,6-dimethoxyphenyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone?
[4-(2,6-dimethoxyphenyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone has a molecular weight of 316.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethoxyphenyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 119060897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).