2-(furan-2-yl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione

C24H18N2O6 — CID 665980

IUPAC2-(furan-2-yl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOc1ccc(Cn2c(-c3ccco3)nc3oc4cc(OC)ccc4c(=O)c3c2=O)cc1
InChIInChI=1S/C24H18N2O6/c1-29-15-7-5-14(6-8-15)13-26-22(18-4-3-11-31-18)25-23-20(24(26)28)21(27)17-10-9-16(30-2)12-19(17)32-23/h3-12H,13H2,1-2H3
InChIKeyCUMRKQQJHRKDGD-UHFFFAOYSA-N
MW430.42 g/mol
LogP3.83
Rot. Bonds5

About 2-(furan-2-yl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione

2-(furan-2-yl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 665980) has the molecular formula C24H18N2O6 and a molecular weight of 430.42 g/mol. Its IUPAC name is 2-(furan-2-yl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name2-(furan-2-yl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID665980
Molecular FormulaC24H18N2O6
Molecular Weight430.42 g/mol
Exact Mass430.12
IUPAC Name2-(furan-2-yl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOc1ccc(Cn2c(-c3ccco3)nc3oc4cc(OC)ccc4c(=O)c3c2=O)cc1
InChIInChI=1S/C24H18N2O6/c1-29-15-7-5-14(6-8-15)13-26-22(18-4-3-11-31-18)25-23-20(24(26)28)21(27)17-10-9-16(30-2)12-19(17)32-23/h3-12H,13H2,1-2H3
InChIKeyCUMRKQQJHRKDGD-UHFFFAOYSA-N
XLogP3.83
TPSA96.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(furan-2-yl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 2-(furan-2-yl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione (CID 665980) is 2-(furan-2-yl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 2-(furan-2-yl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 2-(furan-2-yl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione is COc1ccc(Cn2c(-c3ccco3)nc3oc4cc(OC)ccc4c(=O)c3c2=O)cc1.
What is the InChIKey of 2-(furan-2-yl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is CUMRKQQJHRKDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O6/c1-29-15-7-5-14(6-8-15)13-26-22(18-4-3-11-31-18)25-23-20(24(26)28)21(27)17-10-9-16(30-2)12-19(17)32-23/h3-12H,13H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione?
2-(furan-2-yl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione has a molecular weight of 430.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 665980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).