6-bromo-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one

C23H24BrN3O2 — CID 24910457

About 6-bromo-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one

6-bromo-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one (PubChem CID 24910457) has the molecular formula C23H24BrN3O2 and a molecular weight of 454.37 g/mol. Its IUPAC name is 6-bromo-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one.

Molecular Properties

• Compound Name: 6-bromo-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
• PubChem CID: 24910457
• Molecular Formula: C23H24BrN3O2
• Molecular Weight: 454.37 g/mol
• Exact Mass: 453.11
• IUPAC Name: 6-bromo-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
• SMILES: O=c1c(CN2CCc3nc(C4CCCCC4)ncc3C2)coc2ccc(Br)cc12
• InChI: InChI=1S/C23H24BrN3O2/c24-18-6-7-21-19(10-18)22(28)17(14-29-21)13-27-9-8-20-16(12-27)11-25-23(26-20)15-4-2-1-3-5-15/h6-7,10-11,14-15H,1-5,8-9,12-13H2
• InChIKey: QCSNLAGIKQZVDL-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.37
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one?

The IUPAC name of 6-bromo-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one (CID 24910457) is 6-bromo-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one.

What is the SMILES notation for 6-bromo-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one?

The canonical SMILES for 6-bromo-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one is O=c1c(CN2CCc3nc(C4CCCCC4)ncc3C2)coc2ccc(Br)cc12.

What is the InChIKey of 6-bromo-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one?

The InChIKey is QCSNLAGIKQZVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O2/c24-18-6-7-21-19(10-18)22(28)17(14-29-21)13-27-9-8-20-16(12-27)11-25-23(26-20)15-4-2-1-3-5-15/h6-7,10-11,14-15H,1-5,8-9,12-13H2.

What are the key properties of 6-bromo-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one?

6-bromo-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one has a molecular weight of 454.37 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one is sourced from PubChem (CID 24910457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).