4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one

C29H32N2O7 — CID 4866378

IUPAC4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1ccc(C2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCN2CCOCC2)cc1
InChIInChI=1S/C29H32N2O7/c1-3-15-37-21-9-7-19(8-10-21)25-24(26(32)23-18-20-5-4-6-22(35-2)28(20)38-23)27(33)29(34)31(25)12-11-30-13-16-36-17-14-30/h4-10,18,25,33H,3,11-17H2,1-2H3
InChIKeyWHCWQAIOERHWCK-UHFFFAOYSA-N
MW520.58 g/mol
LogP4.14
Rot. Bonds10

About 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one

4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one (PubChem CID 4866378) has the molecular formula C29H32N2O7 and a molecular weight of 520.58 g/mol. Its IUPAC name is 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
PubChem CID4866378
Molecular FormulaC29H32N2O7
Molecular Weight520.58 g/mol
Exact Mass520.22
IUPAC Name4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1ccc(C2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCN2CCOCC2)cc1
InChIInChI=1S/C29H32N2O7/c1-3-15-37-21-9-7-19(8-10-21)25-24(26(32)23-18-20-5-4-6-22(35-2)28(20)38-23)27(33)29(34)31(25)12-11-30-13-16-36-17-14-30/h4-10,18,25,33H,3,11-17H2,1-2H3
InChIKeyWHCWQAIOERHWCK-UHFFFAOYSA-N
XLogP4.14
TPSA101.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.58
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-(4-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 28748111
(2S)-2-(4-bromophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 94482859
2-(4-butoxy-3-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 4866399
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 4730200
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-pentoxyphenyl)-1-propyl-2H-pyrrol-5-one
CID 108585842
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 3968827
2-(4-butoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 4866241
2-(4-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-propyl-2H-pyrrol-5-one
CID 108635777
(2S)-2-(4-chlorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 40831375
2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 4866397
(2S)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ylpropyl)-2-(4-nitrophenyl)-2H-pyrrol-5-one
CID 1289182
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ylpropyl)-2-(4-nitrophenyl)-2H-pyrrol-5-one
CID 2951035

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one (CID 4866378) is 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one is CCCOc1ccc(C2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCN2CCOCC2)cc1.
What is the InChIKey of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is WHCWQAIOERHWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O7/c1-3-15-37-21-9-7-19(8-10-21)25-24(26(32)23-18-20-5-4-6-22(35-2)28(20)38-23)27(33)29(34)31(25)12-11-30-13-16-36-17-14-30/h4-10,18,25,33H,3,11-17H2,1-2H3.
What are the key properties of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 520.58 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 4866378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).