6-hydroxy-5-(3-phenylpropa-1,2-dienyl)-1-quinolin-5-ylpyrimidine-2,4-dione

C22H15N3O3 — CID 91604534

IUPAC6-hydroxy-5-(3-phenylpropa-1,2-dienyl)-1-quinolin-5-ylpyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc3ncccc23)c(O)c1C=C=Cc1ccccc1
InChIInChI=1S/C22H15N3O3/c26-20-17(10-4-9-15-7-2-1-3-8-15)21(27)25(22(28)24-20)19-13-5-12-18-16(19)11-6-14-23-18/h1-3,5-14,27H,(H,24,26,28)
InChIKeyKDGYDDUBBHRERI-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.11
Rot. Bonds3

About 6-hydroxy-5-(3-phenylpropa-1,2-dienyl)-1-quinolin-5-ylpyrimidine-2,4-dione

6-hydroxy-5-(3-phenylpropa-1,2-dienyl)-1-quinolin-5-ylpyrimidine-2,4-dione (PubChem CID 91604534) has the molecular formula C22H15N3O3 and a molecular weight of 369.38 g/mol. Its IUPAC name is 6-hydroxy-5-(3-phenylpropa-1,2-dienyl)-1-quinolin-5-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(3-phenylpropa-1,2-dienyl)-1-quinolin-5-ylpyrimidine-2,4-dione
PubChem CID91604534
Molecular FormulaC22H15N3O3
Molecular Weight369.38 g/mol
Exact Mass369.11
IUPAC Name6-hydroxy-5-(3-phenylpropa-1,2-dienyl)-1-quinolin-5-ylpyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc3ncccc23)c(O)c1C=C=Cc1ccccc1
InChIInChI=1S/C22H15N3O3/c26-20-17(10-4-9-15-7-2-1-3-8-15)21(27)25(22(28)24-20)19-13-5-12-18-16(19)11-6-14-23-18/h1-3,5-14,27H,(H,24,26,28)
InChIKeyKDGYDDUBBHRERI-UHFFFAOYSA-N
XLogP3.11
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-6-hydroxy-5-(3-phenylpropa-1,2-dienyl)pyrimidine-2,4-dione
CID 91565094
3-quinolin-5-yl-1H-benzimidazol-2-one
CID 146175427
2-[4-[6-hydroxy-2,4-dioxo-5-(3-phenylpropa-1,2-dienyl)pyrimidin-1-yl]phenyl]acetic acid
CID 91094566
2-phenyl-3-quinolin-5-ylquinazolin-4-one
CID 12722024
2,4-dioxo-1-quinolin-5-ylpyrimidine-5-carbonitrile
CID 79876422
6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione
CID 137073220
5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione
CID 137073863
1-(2-fluorophenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135706708
1-[(E)-(6-hydroxy-1-naphthalen-1-yl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3-phenylurea
CID 135822207
5-[3-[2,4-dihydroxy-5-(3-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]propa-1,2-dienyl]-6-hydroxy-1-(3-hydroxyphenyl)pyrimidine-2,4-dione
CID 91136465
1-quinolin-5-yl-1,4-diazepane-2,5-dione
CID 64956527
5-[3-[4-(diethylamino)phenyl]propa-1,2-dienyl]-6-hydroxy-1-(4-phenoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 91189841

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(3-phenylpropa-1,2-dienyl)-1-quinolin-5-ylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(3-phenylpropa-1,2-dienyl)-1-quinolin-5-ylpyrimidine-2,4-dione (CID 91604534) is 6-hydroxy-5-(3-phenylpropa-1,2-dienyl)-1-quinolin-5-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(3-phenylpropa-1,2-dienyl)-1-quinolin-5-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(3-phenylpropa-1,2-dienyl)-1-quinolin-5-ylpyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2cccc3ncccc23)c(O)c1C=C=Cc1ccccc1.
What is the InChIKey of 6-hydroxy-5-(3-phenylpropa-1,2-dienyl)-1-quinolin-5-ylpyrimidine-2,4-dione?
The InChIKey is KDGYDDUBBHRERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3/c26-20-17(10-4-9-15-7-2-1-3-8-15)21(27)25(22(28)24-20)19-13-5-12-18-16(19)11-6-14-23-18/h1-3,5-14,27H,(H,24,26,28).
What are the key properties of 6-hydroxy-5-(3-phenylpropa-1,2-dienyl)-1-quinolin-5-ylpyrimidine-2,4-dione?
6-hydroxy-5-(3-phenylpropa-1,2-dienyl)-1-quinolin-5-ylpyrimidine-2,4-dione has a molecular weight of 369.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(3-phenylpropa-1,2-dienyl)-1-quinolin-5-ylpyrimidine-2,4-dione is sourced from PubChem (CID 91604534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).