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

C26H19ClN2O5 — CID 2039177

IUPAC2-(4-chlorophenyl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOc1ccc(Cn2c(-c3ccc(Cl)cc3)nc3oc4cc(OC)ccc4c(=O)c3c2=O)cc1
InChIInChI=1S/C26H19ClN2O5/c1-32-18-9-3-15(4-10-18)14-29-24(16-5-7-17(27)8-6-16)28-25-22(26(29)31)23(30)20-12-11-19(33-2)13-21(20)34-25/h3-13H,14H2,1-2H3
InChIKeyGJGQAIHAJFQMCV-UHFFFAOYSA-N
MW474.90 g/mol
LogP4.89
Rot. Bonds5

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

2-(4-chlorophenyl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 2039177) has the molecular formula C26H19ClN2O5 and a molecular weight of 474.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID2039177
Molecular FormulaC26H19ClN2O5
Molecular Weight474.90 g/mol
Exact Mass474.10
IUPAC Name2-(4-chlorophenyl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOc1ccc(Cn2c(-c3ccc(Cl)cc3)nc3oc4cc(OC)ccc4c(=O)c3c2=O)cc1
InChIInChI=1S/C26H19ClN2O5/c1-32-18-9-3-15(4-10-18)14-29-24(16-5-7-17(27)8-6-16)28-25-22(26(29)31)23(30)20-12-11-19(33-2)13-21(20)34-25/h3-13H,14H2,1-2H3
InChIKeyGJGQAIHAJFQMCV-UHFFFAOYSA-N
XLogP4.89
TPSA83.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.90
LogP ≤ 54.89
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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Related Compounds

8-methoxy-2-methyl-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 2040325
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-fluorophenyl)-8-methoxy-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 4886085
7-bromo-3-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 22695851
2-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethyl]chromeno[2,3-d]pyrimidine-4,5-dione
CID 666565
3-benzyl-2-(3-bromophenyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 2036957
2-cyclohexyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione
CID 666434
3-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)quinazolin-4-one
CID 46083232
2,5-bis(4-chlorophenyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]imidazole
CID 3732902
7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one
CID 2016693
7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one
CID 44963440

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 2-(4-chlorophenyl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione (CID 2039177) is 2-(4-chlorophenyl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 2-(4-chlorophenyl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 2-(4-chlorophenyl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione is COc1ccc(Cn2c(-c3ccc(Cl)cc3)nc3oc4cc(OC)ccc4c(=O)c3c2=O)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is GJGQAIHAJFQMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN2O5/c1-32-18-9-3-15(4-10-18)14-29-24(16-5-7-17(27)8-6-16)28-25-22(26(29)31)23(30)20-12-11-19(33-2)13-21(20)34-25/h3-13H,14H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione?
2-(4-chlorophenyl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione has a molecular weight of 474.90 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 2039177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).