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

C26H19FN2O4 — CID 4886085

IUPAC2-(4-fluorophenyl)-8-methoxy-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOc1ccc2c(=O)c3c(=O)n(C(C)c4ccccc4)c(-c4ccc(F)cc4)nc3oc2c1
InChIInChI=1S/C26H19FN2O4/c1-15(16-6-4-3-5-7-16)29-24(17-8-10-18(27)11-9-17)28-25-22(26(29)31)23(30)20-13-12-19(32-2)14-21(20)33-25/h3-15H,1-2H3
InChIKeyZBQDEBYCHVCANE-UHFFFAOYSA-N
MW442.45 g/mol
LogP4.93
Rot. Bonds4

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

2-(4-fluorophenyl)-8-methoxy-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 4886085) has the molecular formula C26H19FN2O4 and a molecular weight of 442.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-8-methoxy-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name2-(4-fluorophenyl)-8-methoxy-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID4886085
Molecular FormulaC26H19FN2O4
Molecular Weight442.45 g/mol
Exact Mass442.13
IUPAC Name2-(4-fluorophenyl)-8-methoxy-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOc1ccc2c(=O)c3c(=O)n(C(C)c4ccccc4)c(-c4ccc(F)cc4)nc3oc2c1
InChIInChI=1S/C26H19FN2O4/c1-15(16-6-4-3-5-7-16)29-24(17-8-10-18(27)11-9-17)28-25-22(26(29)31)23(30)20-13-12-19(32-2)14-21(20)33-25/h3-15H,1-2H3
InChIKeyZBQDEBYCHVCANE-UHFFFAOYSA-N
XLogP4.93
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 54.93
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
8-methoxy-2-phenyl-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 4887833
2-(4-chlorophenyl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione
CID 2039177
8-methoxy-2-methyl-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 2040325
2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole
CID 881414
7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
CID 786636
7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
CID 746442
7-methoxy-2-methyl-3-quinolin-2-ylchromen-4-one
CID 2327583
2-cyclohexyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione
CID 666434
3-amino-7-methoxy-2-phenylchromen-4-one
CID 101481005
2-(4-fluorophenyl)-7-methoxychromene-4-thione
CID 46232007
2-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethyl]chromeno[2,3-d]pyrimidine-4,5-dione
CID 666565

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-8-methoxy-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 2-(4-fluorophenyl)-8-methoxy-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione (CID 4886085) is 2-(4-fluorophenyl)-8-methoxy-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 2-(4-fluorophenyl)-8-methoxy-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 2-(4-fluorophenyl)-8-methoxy-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione is COc1ccc2c(=O)c3c(=O)n(C(C)c4ccccc4)c(-c4ccc(F)cc4)nc3oc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-8-methoxy-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is ZBQDEBYCHVCANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2O4/c1-15(16-6-4-3-5-7-16)29-24(17-8-10-18(27)11-9-17)28-25-22(26(29)31)23(30)20-13-12-19(32-2)14-21(20)33-25/h3-15H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-8-methoxy-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione?
2-(4-fluorophenyl)-8-methoxy-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione has a molecular weight of 442.45 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-8-methoxy-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 4886085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).