2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione

C23H16N2O5 — CID 666523

IUPAC2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOc1ccc(Cn2c(-c3ccco3)nc3oc4ccccc4c(=O)c3c2=O)cc1
InChIInChI=1S/C23H16N2O5/c1-28-15-10-8-14(9-11-15)13-25-21(18-7-4-12-29-18)24-22-19(23(25)27)20(26)16-5-2-3-6-17(16)30-22/h2-12H,13H2,1H3
InChIKeyLYTTZGMOTPDGKB-UHFFFAOYSA-N
MW400.39 g/mol
LogP3.82
Rot. Bonds4

About 2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione

2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 666523) has the molecular formula C23H16N2O5 and a molecular weight of 400.39 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID666523
Molecular FormulaC23H16N2O5
Molecular Weight400.39 g/mol
Exact Mass400.11
IUPAC Name2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOc1ccc(Cn2c(-c3ccco3)nc3oc4ccccc4c(=O)c3c2=O)cc1
InChIInChI=1S/C23H16N2O5/c1-28-15-10-8-14(9-11-15)13-25-21(18-7-4-12-29-18)24-22-19(23(25)27)20(26)16-5-2-3-6-17(16)30-22/h2-12H,13H2,1H3
InChIKeyLYTTZGMOTPDGKB-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 2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione (CID 666523) is 2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione is COc1ccc(Cn2c(-c3ccco3)nc3oc4ccccc4c(=O)c3c2=O)cc1.
What is the InChIKey of 2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is LYTTZGMOTPDGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O5/c1-28-15-10-8-14(9-11-15)13-25-21(18-7-4-12-29-18)24-22-19(23(25)27)20(26)16-5-2-3-6-17(16)30-22/h2-12H,13H2,1H3.
What are the key properties of 2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione?
2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]chromeno[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 2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 666523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).