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

C23H15N3O3 — CID 135438774

IUPAC6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-naphthalen-1-ylpyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc3ccccc23)c(O)c1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C23H15N3O3/c27-21-18(12-15-13-24-19-10-4-3-8-16(15)19)22(28)26(23(29)25-21)20-11-5-7-14-6-1-2-9-17(14)20/h1-13,28H,(H,25,27,29)/b15-12+
InChIKeyBLEURQXDCIMYOJ-NTCAYCPXSA-N
MW381.39 g/mol
LogP3.64
Rot. Bonds2

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

6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-naphthalen-1-ylpyrimidine-2,4-dione (PubChem CID 135438774) has the molecular formula C23H15N3O3 and a molecular weight of 381.39 g/mol. Its IUPAC name is 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-naphthalen-1-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-naphthalen-1-ylpyrimidine-2,4-dione
PubChem CID135438774
Molecular FormulaC23H15N3O3
Molecular Weight381.39 g/mol
Exact Mass381.11
IUPAC Name6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-naphthalen-1-ylpyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc3ccccc23)c(O)c1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C23H15N3O3/c27-21-18(12-15-13-24-19-10-4-3-8-16(15)19)22(28)26(23(29)25-21)20-11-5-7-14-6-1-2-9-17(14)20/h1-13,28H,(H,25,27,29)/b15-12+
InChIKeyBLEURQXDCIMYOJ-NTCAYCPXSA-N
XLogP3.64
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-naphthalen-1-ylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-naphthalen-1-ylpyrimidine-2,4-dione (CID 135438774) is 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-naphthalen-1-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-naphthalen-1-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-naphthalen-1-ylpyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2cccc3ccccc23)c(O)c1/C=C1\C=Nc2ccccc21.
What is the InChIKey of 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-naphthalen-1-ylpyrimidine-2,4-dione?
The InChIKey is BLEURQXDCIMYOJ-NTCAYCPXSA-N. The full InChI is InChI=1S/C23H15N3O3/c27-21-18(12-15-13-24-19-10-4-3-8-16(15)19)22(28)26(23(29)25-21)20-11-5-7-14-6-1-2-9-17(14)20/h1-13,28H,(H,25,27,29)/b15-12+.
What are the key properties of 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-naphthalen-1-ylpyrimidine-2,4-dione?
6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-naphthalen-1-ylpyrimidine-2,4-dione has a molecular weight of 381.39 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-naphthalen-1-ylpyrimidine-2,4-dione is sourced from PubChem (CID 135438774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).