6-(4-chlorobenzoyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C14H8ClN3O3 — CID 10542352

IUPAC6-(4-chlorobenzoyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=C(c1ccc(Cl)cc1)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C14H8ClN3O3/c15-9-3-1-7(2-4-9)11(19)8-5-10-12(16-6-8)17-14(21)18-13(10)20/h1-6H,(H2,16,17,18,20,21)
InChIKeyXJIBHMAHRLBDKT-UHFFFAOYSA-N
MW301.69 g/mol
LogP1.50
Rot. Bonds2

About 6-(4-chlorobenzoyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

6-(4-chlorobenzoyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 10542352) has the molecular formula C14H8ClN3O3 and a molecular weight of 301.69 g/mol. Its IUPAC name is 6-(4-chlorobenzoyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-chlorobenzoyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID10542352
Molecular FormulaC14H8ClN3O3
Molecular Weight301.69 g/mol
Exact Mass301.03
IUPAC Name6-(4-chlorobenzoyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=C(c1ccc(Cl)cc1)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C14H8ClN3O3/c15-9-3-1-7(2-4-9)11(19)8-5-10-12(16-6-8)17-14(21)18-13(10)20/h1-6H,(H2,16,17,18,20,21)
InChIKeyXJIBHMAHRLBDKT-UHFFFAOYSA-N
XLogP1.50
TPSA95.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorobenzoyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(4-chlorobenzoyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 10542352) is 6-(4-chlorobenzoyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-chlorobenzoyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-chlorobenzoyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is O=C(c1ccc(Cl)cc1)c1cnc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of 6-(4-chlorobenzoyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is XJIBHMAHRLBDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O3/c15-9-3-1-7(2-4-9)11(19)8-5-10-12(16-6-8)17-14(21)18-13(10)20/h1-6H,(H2,16,17,18,20,21).
What are the key properties of 6-(4-chlorobenzoyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
6-(4-chlorobenzoyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 301.69 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorobenzoyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10542352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).