3-(furan-2-ylmethyl)-8-methoxy-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione

C23H16N2O5 — CID 666855

IUPAC3-(furan-2-ylmethyl)-8-methoxy-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(-c4ccccc4)nc3oc2c1
InChIInChI=1S/C23H16N2O5/c1-28-15-9-10-17-18(12-15)30-22-19(20(17)26)23(27)25(13-16-8-5-11-29-16)21(24-22)14-6-3-2-4-7-14/h2-12H,13H2,1H3
InChIKeyHFKHINWEIVVDMT-UHFFFAOYSA-N
MW400.39 g/mol
LogP3.82
Rot. Bonds4

About 3-(furan-2-ylmethyl)-8-methoxy-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione

3-(furan-2-ylmethyl)-8-methoxy-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 666855) has the molecular formula C23H16N2O5 and a molecular weight of 400.39 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-8-methoxy-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-8-methoxy-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID666855
Molecular FormulaC23H16N2O5
Molecular Weight400.39 g/mol
Exact Mass400.11
IUPAC Name3-(furan-2-ylmethyl)-8-methoxy-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(-c4ccccc4)nc3oc2c1
InChIInChI=1S/C23H16N2O5/c1-28-15-9-10-17-18(12-15)30-22-19(20(17)26)23(27)25(13-16-8-5-11-29-16)21(24-22)14-6-3-2-4-7-14/h2-12H,13H2,1H3
InChIKeyHFKHINWEIVVDMT-UHFFFAOYSA-N
XLogP3.82
TPSA87.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-8-methoxy-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 3-(furan-2-ylmethyl)-8-methoxy-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione (CID 666855) is 3-(furan-2-ylmethyl)-8-methoxy-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 3-(furan-2-ylmethyl)-8-methoxy-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 3-(furan-2-ylmethyl)-8-methoxy-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione is COc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(-c4ccccc4)nc3oc2c1.
What is the InChIKey of 3-(furan-2-ylmethyl)-8-methoxy-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is HFKHINWEIVVDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O5/c1-28-15-9-10-17-18(12-15)30-22-19(20(17)26)23(27)25(13-16-8-5-11-29-16)21(24-22)14-6-3-2-4-7-14/h2-12H,13H2,1H3.
What are the key properties of 3-(furan-2-ylmethyl)-8-methoxy-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione?
3-(furan-2-ylmethyl)-8-methoxy-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione has a molecular weight of 400.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-8-methoxy-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 666855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).