8-methoxy-2-phenyl-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione

C26H20N2O4 — CID 4887833

IUPAC8-methoxy-2-phenyl-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOc1ccc2c(=O)c3c(=O)n(C(C)c4ccccc4)c(-c4ccccc4)nc3oc2c1
InChIInChI=1S/C26H20N2O4/c1-16(17-9-5-3-6-10-17)28-24(18-11-7-4-8-12-18)27-25-22(26(28)30)23(29)20-14-13-19(31-2)15-21(20)32-25/h3-16H,1-2H3
InChIKeyXNZYTQMKBZSKJK-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.79
Rot. Bonds4

About 8-methoxy-2-phenyl-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione

8-methoxy-2-phenyl-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 4887833) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 8-methoxy-2-phenyl-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name8-methoxy-2-phenyl-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID4887833
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Name8-methoxy-2-phenyl-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOc1ccc2c(=O)c3c(=O)n(C(C)c4ccccc4)c(-c4ccccc4)nc3oc2c1
InChIInChI=1S/C26H20N2O4/c1-16(17-9-5-3-6-10-17)28-24(18-11-7-4-8-12-18)27-25-22(26(28)30)23(29)20-14-13-19(31-2)15-21(20)32-25/h3-16H,1-2H3
InChIKeyXNZYTQMKBZSKJK-UHFFFAOYSA-N
XLogP4.79
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.79
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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Related Compounds

8-methoxy-2-(4-methylphenyl)-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 4887296
2-(4-fluorophenyl)-8-methoxy-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 4886085
8-methoxy-2-methyl-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 2040325
2-(4-chlorophenyl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione
CID 2039177
3-amino-7-methoxy-2-phenylchromen-4-one
CID 101481005
2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole
CID 881414
2-cyclohexyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione
CID 666434
7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
CID 786636
2-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethyl]chromeno[2,3-d]pyrimidine-4,5-dione
CID 666565
7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
CID 746442
6-methoxy-2-methyl-3-phenyl-1-benzofuran
CID 3448866
7-methoxy-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one
CID 4282806

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-phenyl-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 8-methoxy-2-phenyl-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione (CID 4887833) is 8-methoxy-2-phenyl-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 8-methoxy-2-phenyl-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 8-methoxy-2-phenyl-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione is COc1ccc2c(=O)c3c(=O)n(C(C)c4ccccc4)c(-c4ccccc4)nc3oc2c1.
What is the InChIKey of 8-methoxy-2-phenyl-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is XNZYTQMKBZSKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c1-16(17-9-5-3-6-10-17)28-24(18-11-7-4-8-12-18)27-25-22(26(28)30)23(29)20-14-13-19(31-2)15-21(20)32-25/h3-16H,1-2H3.
What are the key properties of 8-methoxy-2-phenyl-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione?
8-methoxy-2-phenyl-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione has a molecular weight of 424.46 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-phenyl-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 4887833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).