8-bromo-2,4-dimethoxy-7-(3-methoxyphenyl)-6-phenylpyrido[4,3-d]pyrimidin-5-one

C22H18BrN3O4 — CID 15696814

IUPAC8-bromo-2,4-dimethoxy-7-(3-methoxyphenyl)-6-phenylpyrido[4,3-d]pyrimidin-5-one
SMILESCOc1cccc(-c2c(Br)c3nc(OC)nc(OC)c3c(=O)n2-c2ccccc2)c1
InChIInChI=1S/C22H18BrN3O4/c1-28-15-11-7-8-13(12-15)19-17(23)18-16(20(29-2)25-22(24-18)30-3)21(27)26(19)14-9-5-4-6-10-14/h4-12H,1-3H3
InChIKeyVPXLDQIVBLGTSK-UHFFFAOYSA-N
MW468.31 g/mol
LogP4.24
Rot. Bonds5

About 8-bromo-2,4-dimethoxy-7-(3-methoxyphenyl)-6-phenylpyrido[4,3-d]pyrimidin-5-one

8-bromo-2,4-dimethoxy-7-(3-methoxyphenyl)-6-phenylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 15696814) has the molecular formula C22H18BrN3O4 and a molecular weight of 468.31 g/mol. Its IUPAC name is 8-bromo-2,4-dimethoxy-7-(3-methoxyphenyl)-6-phenylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name8-bromo-2,4-dimethoxy-7-(3-methoxyphenyl)-6-phenylpyrido[4,3-d]pyrimidin-5-one
PubChem CID15696814
Molecular FormulaC22H18BrN3O4
Molecular Weight468.31 g/mol
Exact Mass467.05
IUPAC Name8-bromo-2,4-dimethoxy-7-(3-methoxyphenyl)-6-phenylpyrido[4,3-d]pyrimidin-5-one
SMILESCOc1cccc(-c2c(Br)c3nc(OC)nc(OC)c3c(=O)n2-c2ccccc2)c1
InChIInChI=1S/C22H18BrN3O4/c1-28-15-11-7-8-13(12-15)19-17(23)18-16(20(29-2)25-22(24-18)30-3)21(27)26(19)14-9-5-4-6-10-14/h4-12H,1-3H3
InChIKeyVPXLDQIVBLGTSK-UHFFFAOYSA-N
XLogP4.24
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.31
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-bromo-4-hydroxy-6-(3-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione
CID 59241971
2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine
CID 76538776
3,5-dichloro-6-(3-methoxyphenyl)-1-methylpyrazin-2-one
CID 13062966
2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one
CID 54063244
5-(3-methoxyphenyl)-1-phenylpyrazole
CID 44632701
4-bromo-1-cyclopentyl-3,5-bis(3-methoxyphenyl)pyrazole
CID 19587192
3-[4-bromo-5-(3-methoxyphenyl)-1-methylimidazol-2-yl]propanoic acid
CID 84611921
6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one
CID 134913131
8-(3-methoxyphenyl)-1,3-diphenyl-1,2,4-benzotriazin-7-one
CID 53495488
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
CID 714917
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,4-dimethoxy-7-(3-methoxyphenyl)-6-phenylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 8-bromo-2,4-dimethoxy-7-(3-methoxyphenyl)-6-phenylpyrido[4,3-d]pyrimidin-5-one (CID 15696814) is 8-bromo-2,4-dimethoxy-7-(3-methoxyphenyl)-6-phenylpyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 8-bromo-2,4-dimethoxy-7-(3-methoxyphenyl)-6-phenylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 8-bromo-2,4-dimethoxy-7-(3-methoxyphenyl)-6-phenylpyrido[4,3-d]pyrimidin-5-one is COc1cccc(-c2c(Br)c3nc(OC)nc(OC)c3c(=O)n2-c2ccccc2)c1.
What is the InChIKey of 8-bromo-2,4-dimethoxy-7-(3-methoxyphenyl)-6-phenylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is VPXLDQIVBLGTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O4/c1-28-15-11-7-8-13(12-15)19-17(23)18-16(20(29-2)25-22(24-18)30-3)21(27)26(19)14-9-5-4-6-10-14/h4-12H,1-3H3.
What are the key properties of 8-bromo-2,4-dimethoxy-7-(3-methoxyphenyl)-6-phenylpyrido[4,3-d]pyrimidin-5-one?
8-bromo-2,4-dimethoxy-7-(3-methoxyphenyl)-6-phenylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 468.31 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,4-dimethoxy-7-(3-methoxyphenyl)-6-phenylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 15696814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).