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

C24H18N2O5 — CID 666565

IUPAC2-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethyl]chromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOc1ccc(CCn2c(-c3ccco3)nc3oc4ccccc4c(=O)c3c2=O)cc1
InChIInChI=1S/C24H18N2O5/c1-29-16-10-8-15(9-11-16)12-13-26-22(19-7-4-14-30-19)25-23-20(24(26)28)21(27)17-5-2-3-6-18(17)31-23/h2-11,14H,12-13H2,1H3
InChIKeyYEOSJUQIOOPCHR-UHFFFAOYSA-N
MW414.42 g/mol
LogP4.01
Rot. Bonds5

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

2-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethyl]chromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 666565) has the molecular formula C24H18N2O5 and a molecular weight of 414.42 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethyl]chromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name2-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethyl]chromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID666565
Molecular FormulaC24H18N2O5
Molecular Weight414.42 g/mol
Exact Mass414.12
IUPAC Name2-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethyl]chromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOc1ccc(CCn2c(-c3ccco3)nc3oc4ccccc4c(=O)c3c2=O)cc1
InChIInChI=1S/C24H18N2O5/c1-29-16-10-8-15(9-11-16)12-13-26-22(19-7-4-14-30-19)25-23-20(24(26)28)21(27)17-5-2-3-6-18(17)31-23/h2-11,14H,12-13H2,1H3
InChIKeyYEOSJUQIOOPCHR-UHFFFAOYSA-N
XLogP4.01
TPSA87.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 54.01
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-[2-(4-methoxyphenyl)ethyl]chromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 2-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethyl]chromeno[2,3-d]pyrimidine-4,5-dione (CID 666565) is 2-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethyl]chromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 2-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethyl]chromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 2-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethyl]chromeno[2,3-d]pyrimidine-4,5-dione is COc1ccc(CCn2c(-c3ccco3)nc3oc4ccccc4c(=O)c3c2=O)cc1.
What is the InChIKey of 2-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethyl]chromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is YEOSJUQIOOPCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O5/c1-29-16-10-8-15(9-11-16)12-13-26-22(19-7-4-14-30-19)25-23-20(24(26)28)21(27)17-5-2-3-6-18(17)31-23/h2-11,14H,12-13H2,1H3.
What are the key properties of 2-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethyl]chromeno[2,3-d]pyrimidine-4,5-dione?
2-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethyl]chromeno[2,3-d]pyrimidine-4,5-dione has a molecular weight of 414.42 g/mol, XLogP of 4.01, 5 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-[2-(4-methoxyphenyl)ethyl]chromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 666565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).