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

C22H14N2O4 — CID 666649

IUPAC3-benzyl-2-(furan-2-yl)chromeno[2,3-d]pyrimidine-4,5-dione
SMILESO=c1c2ccccc2oc2nc(-c3ccco3)n(Cc3ccccc3)c(=O)c12
InChIInChI=1S/C22H14N2O4/c25-19-15-9-4-5-10-16(15)28-21-18(19)22(26)24(13-14-7-2-1-3-8-14)20(23-21)17-11-6-12-27-17/h1-12H,13H2
InChIKeyPGGOZONNTABRSB-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.81
Rot. Bonds3

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

3-benzyl-2-(furan-2-yl)chromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 666649) has the molecular formula C22H14N2O4 and a molecular weight of 370.36 g/mol. Its IUPAC name is 3-benzyl-2-(furan-2-yl)chromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name3-benzyl-2-(furan-2-yl)chromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID666649
Molecular FormulaC22H14N2O4
Molecular Weight370.36 g/mol
Exact Mass370.10
IUPAC Name3-benzyl-2-(furan-2-yl)chromeno[2,3-d]pyrimidine-4,5-dione
SMILESO=c1c2ccccc2oc2nc(-c3ccco3)n(Cc3ccccc3)c(=O)c12
InChIInChI=1S/C22H14N2O4/c25-19-15-9-4-5-10-16(15)28-21-18(19)22(26)24(13-14-7-2-1-3-8-14)20(23-21)17-11-6-12-27-17/h1-12H,13H2
InChIKeyPGGOZONNTABRSB-UHFFFAOYSA-N
XLogP3.81
TPSA78.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-benzyl-2-(furan-2-yl)chromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 3-benzyl-2-(furan-2-yl)chromeno[2,3-d]pyrimidine-4,5-dione (CID 666649) is 3-benzyl-2-(furan-2-yl)chromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 3-benzyl-2-(furan-2-yl)chromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 3-benzyl-2-(furan-2-yl)chromeno[2,3-d]pyrimidine-4,5-dione is O=c1c2ccccc2oc2nc(-c3ccco3)n(Cc3ccccc3)c(=O)c12.
What is the InChIKey of 3-benzyl-2-(furan-2-yl)chromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is PGGOZONNTABRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O4/c25-19-15-9-4-5-10-16(15)28-21-18(19)22(26)24(13-14-7-2-1-3-8-14)20(23-21)17-11-6-12-27-17/h1-12H,13H2.
What are the key properties of 3-benzyl-2-(furan-2-yl)chromeno[2,3-d]pyrimidine-4,5-dione?
3-benzyl-2-(furan-2-yl)chromeno[2,3-d]pyrimidine-4,5-dione has a molecular weight of 370.36 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(furan-2-yl)chromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 666649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).