8-(4-bromophenyl)-2-(ethylamino)-6-(4-methoxyphenyl)pyrido[4,3-d]pyrimidin-7-one

C22H19BrN4O2 — CID 139552085

IUPAC8-(4-bromophenyl)-2-(ethylamino)-6-(4-methoxyphenyl)pyrido[4,3-d]pyrimidin-7-one
SMILESCCNc1ncc2cn(-c3ccc(OC)cc3)c(=O)c(-c3ccc(Br)cc3)c2n1
InChIInChI=1S/C22H19BrN4O2/c1-3-24-22-25-12-15-13-27(17-8-10-18(29-2)11-9-17)21(28)19(20(15)26-22)14-4-6-16(23)7-5-14/h4-13H,3H2,1-2H3,(H,24,26)
InChIKeyCGBGNIVGTFPDSQ-UHFFFAOYSA-N
MW451.32 g/mol
LogP4.65
Rot. Bonds5

About 8-(4-bromophenyl)-2-(ethylamino)-6-(4-methoxyphenyl)pyrido[4,3-d]pyrimidin-7-one

8-(4-bromophenyl)-2-(ethylamino)-6-(4-methoxyphenyl)pyrido[4,3-d]pyrimidin-7-one (PubChem CID 139552085) has the molecular formula C22H19BrN4O2 and a molecular weight of 451.32 g/mol. Its IUPAC name is 8-(4-bromophenyl)-2-(ethylamino)-6-(4-methoxyphenyl)pyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(4-bromophenyl)-2-(ethylamino)-6-(4-methoxyphenyl)pyrido[4,3-d]pyrimidin-7-one
PubChem CID139552085
Molecular FormulaC22H19BrN4O2
Molecular Weight451.32 g/mol
Exact Mass450.07
IUPAC Name8-(4-bromophenyl)-2-(ethylamino)-6-(4-methoxyphenyl)pyrido[4,3-d]pyrimidin-7-one
SMILESCCNc1ncc2cn(-c3ccc(OC)cc3)c(=O)c(-c3ccc(Br)cc3)c2n1
InChIInChI=1S/C22H19BrN4O2/c1-3-24-22-25-12-15-13-27(17-8-10-18(29-2)11-9-17)21(28)19(20(15)26-22)14-4-6-16(23)7-5-14/h4-13H,3H2,1-2H3,(H,24,26)
InChIKeyCGBGNIVGTFPDSQ-UHFFFAOYSA-N
XLogP4.65
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-bromophenyl)-2-(ethylamino)-6-(4-methoxyphenyl)pyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 8-(4-bromophenyl)-2-(ethylamino)-6-(4-methoxyphenyl)pyrido[4,3-d]pyrimidin-7-one (CID 139552085) is 8-(4-bromophenyl)-2-(ethylamino)-6-(4-methoxyphenyl)pyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(4-bromophenyl)-2-(ethylamino)-6-(4-methoxyphenyl)pyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(4-bromophenyl)-2-(ethylamino)-6-(4-methoxyphenyl)pyrido[4,3-d]pyrimidin-7-one is CCNc1ncc2cn(-c3ccc(OC)cc3)c(=O)c(-c3ccc(Br)cc3)c2n1.
What is the InChIKey of 8-(4-bromophenyl)-2-(ethylamino)-6-(4-methoxyphenyl)pyrido[4,3-d]pyrimidin-7-one?
The InChIKey is CGBGNIVGTFPDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O2/c1-3-24-22-25-12-15-13-27(17-8-10-18(29-2)11-9-17)21(28)19(20(15)26-22)14-4-6-16(23)7-5-14/h4-13H,3H2,1-2H3,(H,24,26).
What are the key properties of 8-(4-bromophenyl)-2-(ethylamino)-6-(4-methoxyphenyl)pyrido[4,3-d]pyrimidin-7-one?
8-(4-bromophenyl)-2-(ethylamino)-6-(4-methoxyphenyl)pyrido[4,3-d]pyrimidin-7-one has a molecular weight of 451.32 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromophenyl)-2-(ethylamino)-6-(4-methoxyphenyl)pyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 139552085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).