4-[6-(3-chlorophenyl)sulfonyl-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine

C24H25ClN4O4S — CID 46072808

About 4-[6-(3-chlorophenyl)sulfonyl-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine

4-[6-(3-chlorophenyl)sulfonyl-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (PubChem CID 46072808) has the molecular formula C24H25ClN4O4S and a molecular weight of 501.01 g/mol. Its IUPAC name is 4-[6-(3-chlorophenyl)sulfonyl-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

• Compound Name: 4-[6-(3-chlorophenyl)sulfonyl-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
• PubChem CID: 46072808
• Molecular Formula: C24H25ClN4O4S
• Molecular Weight: 501.01 g/mol
• Exact Mass: 500.13
• IUPAC Name: 4-[6-(3-chlorophenyl)sulfonyl-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
• SMILES: Cc1ccccc1Oc1nc(N2CCOCC2)nc2c1CN(S(=O)(=O)c1cccc(Cl)c1)CC2
• InChI: InChI=1S/C24H25ClN4O4S/c1-17-5-2-3-8-22(17)33-23-20-16-29(34(30,31)19-7-4-6-18(25)15-19)10-9-21(20)26-24(27-23)28-11-13-32-14-12-28/h2-8,15H,9-14,16H2,1H3
• InChIKey: ZVTFLTSANALXHI-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 84.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.01
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-chlorophenyl)sulfonyl-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?

The IUPAC name of 4-[6-(3-chlorophenyl)sulfonyl-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (CID 46072808) is 4-[6-(3-chlorophenyl)sulfonyl-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.

What is the SMILES notation for 4-[6-(3-chlorophenyl)sulfonyl-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?

The canonical SMILES for 4-[6-(3-chlorophenyl)sulfonyl-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is Cc1ccccc1Oc1nc(N2CCOCC2)nc2c1CN(S(=O)(=O)c1cccc(Cl)c1)CC2.

What is the InChIKey of 4-[6-(3-chlorophenyl)sulfonyl-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?

The InChIKey is ZVTFLTSANALXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O4S/c1-17-5-2-3-8-22(17)33-23-20-16-29(34(30,31)19-7-4-6-18(25)15-19)10-9-21(20)26-24(27-23)28-11-13-32-14-12-28/h2-8,15H,9-14,16H2,1H3.

What are the key properties of 4-[6-(3-chlorophenyl)sulfonyl-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?

4-[6-(3-chlorophenyl)sulfonyl-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 501.01 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(3-chlorophenyl)sulfonyl-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 46072808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).