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

C23H23Cl2N3O2 — CID 24909470

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

6,8-dichloro-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one (PubChem CID 24909470) has the molecular formula C23H23Cl2N3O2 and a molecular weight of 444.36 g/mol. Its IUPAC name is 6,8-dichloro-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one.

Molecular Properties

• Compound Name: 6,8-dichloro-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
• PubChem CID: 24909470
• Molecular Formula: C23H23Cl2N3O2
• Molecular Weight: 444.36 g/mol
• Exact Mass: 443.12
• IUPAC Name: 6,8-dichloro-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
• SMILES: O=c1c(CN2CCc3nc(C4CCCCC4)ncc3C2)coc2c(Cl)cc(Cl)cc12
• InChI: InChI=1S/C23H23Cl2N3O2/c24-17-8-18-21(29)16(13-30-22(18)19(25)9-17)12-28-7-6-20-15(11-28)10-26-23(27-20)14-4-2-1-3-5-14/h8-10,13-14H,1-7,11-12H2
• InChIKey: BFSSEEOOQDZECS-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.36
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6,8-dichloro-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one (CID 24909470) is 6,8-dichloro-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one.

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

The canonical SMILES for 6,8-dichloro-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one is O=c1c(CN2CCc3nc(C4CCCCC4)ncc3C2)coc2c(Cl)cc(Cl)cc12.

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

The InChIKey is BFSSEEOOQDZECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O2/c24-17-8-18-21(29)16(13-30-22(18)19(25)9-17)12-28-7-6-20-15(11-28)10-26-23(27-20)14-4-2-1-3-5-14/h8-10,13-14H,1-7,11-12H2.

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

6,8-dichloro-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one has a molecular weight of 444.36 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dichloro-3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one is sourced from PubChem (CID 24909470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).