furan-3-yl-[4-(3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

C23H24N4O4 — CID 42871211

About furan-3-yl-[4-(3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

furan-3-yl-[4-(3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 42871211) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is furan-3-yl-[4-(3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

• Compound Name: furan-3-yl-[4-(3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
• PubChem CID: 42871211
• Molecular Formula: C23H24N4O4
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.18
• IUPAC Name: furan-3-yl-[4-(3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
• SMILES: Cc1cccc(Oc2nc(N3CCOCC3)nc3c2CN(C(=O)c2ccoc2)CC3)c1
• InChI: InChI=1S/C23H24N4O4/c1-16-3-2-4-18(13-16)31-21-19-14-27(22(28)17-6-10-30-15-17)7-5-20(19)24-23(25-21)26-8-11-29-12-9-26/h2-4,6,10,13,15H,5,7-9,11-12,14H2,1H3
• InChIKey: VXQCUVCEQWZWHS-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 80.93 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of furan-3-yl-[4-(3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 42871211) is furan-3-yl-[4-(3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

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

The canonical SMILES for furan-3-yl-[4-(3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is Cc1cccc(Oc2nc(N3CCOCC3)nc3c2CN(C(=O)c2ccoc2)CC3)c1.

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

The InChIKey is VXQCUVCEQWZWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-16-3-2-4-18(13-16)31-21-19-14-27(22(28)17-6-10-30-15-17)7-5-20(19)24-23(25-21)26-8-11-29-12-9-26/h2-4,6,10,13,15H,5,7-9,11-12,14H2,1H3.

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

furan-3-yl-[4-(3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 420.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for furan-3-yl-[4-(3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 42871211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).