3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

C26H25N3O6 — CID 33266470

IUPAC3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCOc1cc(OC)c(C2=CCN(C(=O)Cn3cnc4c(oc5ccccc54)c3=O)CC2)c(OC)c1
InChIInChI=1S/C26H25N3O6/c1-32-17-12-20(33-2)23(21(13-17)34-3)16-8-10-28(11-9-16)22(30)14-29-15-27-24-18-6-4-5-7-19(18)35-25(24)26(29)31/h4-8,12-13,15H,9-11,14H2,1-3H3
InChIKeyDSCKNUWMXUQRBU-UHFFFAOYSA-N
MW475.50 g/mol
LogP3.48
Rot. Bonds6

About 3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 33266470) has the molecular formula C26H25N3O6 and a molecular weight of 475.50 g/mol. Its IUPAC name is 3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID33266470
Molecular FormulaC26H25N3O6
Molecular Weight475.50 g/mol
Exact Mass475.17
IUPAC Name3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCOc1cc(OC)c(C2=CCN(C(=O)Cn3cnc4c(oc5ccccc54)c3=O)CC2)c(OC)c1
InChIInChI=1S/C26H25N3O6/c1-32-17-12-20(33-2)23(21(13-17)34-3)16-8-10-28(11-9-16)22(30)14-29-15-27-24-18-6-4-5-7-19(18)35-25(24)26(29)31/h4-8,12-13,15H,9-11,14H2,1-3H3
InChIKeyDSCKNUWMXUQRBU-UHFFFAOYSA-N
XLogP3.48
TPSA96.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 33266470) is 3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is COc1cc(OC)c(C2=CCN(C(=O)Cn3cnc4c(oc5ccccc54)c3=O)CC2)c(OC)c1.
What is the InChIKey of 3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is DSCKNUWMXUQRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O6/c1-32-17-12-20(33-2)23(21(13-17)34-3)16-8-10-28(11-9-16)22(30)14-29-15-27-24-18-6-4-5-7-19(18)35-25(24)26(29)31/h4-8,12-13,15H,9-11,14H2,1-3H3.
What are the key properties of 3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 475.50 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 33266470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).