7-(2-hydroxy-4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one

C14H11N3O3S — CID 146048988

IUPAC7-(2-hydroxy-4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2ccc3c(=O)[nH]c(=S)[nH]c3n2)c(O)c1
InChIInChI=1S/C14H11N3O3S/c1-20-7-2-3-8(11(18)6-7)10-5-4-9-12(15-10)16-14(21)17-13(9)19/h2-6,18H,1H3,(H2,15,16,17,19,21)
InChIKeyOTOHUPQNKAQYCN-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.36
Rot. Bonds2

About 7-(2-hydroxy-4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one

7-(2-hydroxy-4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 146048988) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 7-(2-hydroxy-4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2-hydroxy-4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID146048988
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name7-(2-hydroxy-4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2ccc3c(=O)[nH]c(=S)[nH]c3n2)c(O)c1
InChIInChI=1S/C14H11N3O3S/c1-20-7-2-3-8(11(18)6-7)10-5-4-9-12(15-10)16-14(21)17-13(9)19/h2-6,18H,1H3,(H2,15,16,17,19,21)
InChIKeyOTOHUPQNKAQYCN-UHFFFAOYSA-N
XLogP2.36
TPSA91.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048739
7-(2-hydroxy-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048803
7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048788
4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol
CID 137276987
7-(furan-2-yl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
CID 171983985
7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 154925291
1-(4-fluorophenyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048975
5-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dithione
CID 11178208
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
1-(2,5-dimethoxyphenyl)-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136816864
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
2-(6-chloropyridazin-3-yl)-5-methoxyphenol
CID 135731737

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxy-4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(2-hydroxy-4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one (CID 146048988) is 7-(2-hydroxy-4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2-hydroxy-4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(2-hydroxy-4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one is COc1ccc(-c2ccc3c(=O)[nH]c(=S)[nH]c3n2)c(O)c1.
What is the InChIKey of 7-(2-hydroxy-4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is OTOHUPQNKAQYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-20-7-2-3-8(11(18)6-7)10-5-4-9-12(15-10)16-14(21)17-13(9)19/h2-6,18H,1H3,(H2,15,16,17,19,21).
What are the key properties of 7-(2-hydroxy-4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
7-(2-hydroxy-4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 301.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxy-4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 146048988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).