5-[(E)-(2-benzoylindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C22H17N3O4 — CID 135473984

IUPAC5-[(E)-(2-benzoylindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=C2/C(C(=O)c3ccccc3)=Nc3ccccc32)c(=O)n(C)c1=O
InChIInChI=1S/C22H17N3O4/c1-24-20(27)16(21(28)25(2)22(24)29)12-15-14-10-6-7-11-17(14)23-18(15)19(26)13-8-4-3-5-9-13/h3-12,27H,1-2H3/b15-12+
InChIKeyRQPRJEOYRBOVBM-NTCAYCPXSA-N
MW387.40 g/mol
LogP2.30
Rot. Bonds3

About 5-[(E)-(2-benzoylindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[(E)-(2-benzoylindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 135473984) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 5-[(E)-(2-benzoylindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-(2-benzoylindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID135473984
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name5-[(E)-(2-benzoylindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=C2/C(C(=O)c3ccccc3)=Nc3ccccc32)c(=O)n(C)c1=O
InChIInChI=1S/C22H17N3O4/c1-24-20(27)16(21(28)25(2)22(24)29)12-15-14-10-6-7-11-17(14)23-18(15)19(26)13-8-4-3-5-9-13/h3-12,27H,1-2H3/b15-12+
InChIKeyRQPRJEOYRBOVBM-NTCAYCPXSA-N
XLogP2.30
TPSA93.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (3E)-3-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]indole-2-carboxylate
CID 135478081
6-hydroxy-1,3-dimethyl-5-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]pyrimidine-2,4-dione
CID 2294119
4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenacyl-1,3-thiazol-2-one
CID 137117414
ethyl (3E)-3-[[1-(4-bromophenyl)-6-hydroxy-4-oxo-3-phenyl-2-sulfanylidenepyrimidin-5-yl]methylidene]indole-2-carboxylate
CID 135420870
5-[[2-[3-[(4-carbamoyl-1H-pyrrol-2-yl)methylidene]indole-2-carbonyl]indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
CID 174554769
5-[(6-bromo-2-oxonaphthalen-1-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 4084577
6-hydroxy-1,3-dimethyl-5-[(4-phenyldiazenylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 137073260
5-[(Z)-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]isoindol-1-ylidene]methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 170912030
4-[4-hydroxy-5-[(2-methoxycarbonylindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]butanoic acid
CID 135925046
methyl (3E)-3-[[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylidene]indole-2-carboxylate
CID 135420644
methyl (3E)-3-[[1-(4-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indole-2-carboxylate
CID 135571955
6-[4-hydroxy-5-[(2-methoxycarbonylindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid
CID 135904148

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(2-benzoylindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-(2-benzoylindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 135473984) is 5-[(E)-(2-benzoylindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-(2-benzoylindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-(2-benzoylindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(/C=C2/C(C(=O)c3ccccc3)=Nc3ccccc32)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(E)-(2-benzoylindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is RQPRJEOYRBOVBM-NTCAYCPXSA-N. The full InChI is InChI=1S/C22H17N3O4/c1-24-20(27)16(21(28)25(2)22(24)29)12-15-14-10-6-7-11-17(14)23-18(15)19(26)13-8-4-3-5-9-13/h3-12,27H,1-2H3/b15-12+.
What are the key properties of 5-[(E)-(2-benzoylindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[(E)-(2-benzoylindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 387.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(2-benzoylindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 135473984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).