1-(4-ethoxyphenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione

C21H17N3O4 — CID 135477979

IUPAC1-(4-ethoxyphenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
SMILESCCOc1ccc(-n2c(O)c(/C=C3\C=Nc4ccccc43)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C21H17N3O4/c1-2-28-15-9-7-14(8-10-15)24-20(26)17(19(25)23-21(24)27)11-13-12-22-18-6-4-3-5-16(13)18/h3-12,26H,2H2,1H3,(H,23,25,27)/b13-11+
InChIKeyJMQXGRNORIOTQP-ACCUITESSA-N
MW375.38 g/mol
LogP2.89
Rot. Bonds4

About 1-(4-ethoxyphenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione

1-(4-ethoxyphenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione (PubChem CID 135477979) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
PubChem CID135477979
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name1-(4-ethoxyphenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
SMILESCCOc1ccc(-n2c(O)c(/C=C3\C=Nc4ccccc43)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C21H17N3O4/c1-2-28-15-9-7-14(8-10-15)24-20(26)17(19(25)23-21(24)27)11-13-12-22-18-6-4-3-5-16(13)18/h3-12,26H,2H2,1H3,(H,23,25,27)/b13-11+
InChIKeyJMQXGRNORIOTQP-ACCUITESSA-N
XLogP2.89
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione (CID 135477979) is 1-(4-ethoxyphenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione is CCOc1ccc(-n2c(O)c(/C=C3\C=Nc4ccccc43)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione?
The InChIKey is JMQXGRNORIOTQP-ACCUITESSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-2-28-15-9-7-14(8-10-15)24-20(26)17(19(25)23-21(24)27)11-13-12-22-18-6-4-3-5-16(13)18/h3-12,26H,2H2,1H3,(H,23,25,27)/b13-11+.
What are the key properties of 1-(4-ethoxyphenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione?
1-(4-ethoxyphenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione has a molecular weight of 375.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135477979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).