2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one

C22H17ClN2O3 — CID 1413717

IUPAC2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one
SMILESCc1ccc2c(=O)c(Oc3nc(C)cc(C)n3)c(-c3ccc(Cl)cc3)oc2c1
InChIInChI=1S/C22H17ClN2O3/c1-12-4-9-17-18(10-12)27-20(15-5-7-16(23)8-6-15)21(19(17)26)28-22-24-13(2)11-14(3)25-22/h4-11H,1-3H3
InChIKeyCWMBRHKJGTVMRK-UHFFFAOYSA-N
MW392.84 g/mol
LogP5.62
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one

2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one (PubChem CID 1413717) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one
PubChem CID1413717
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one
SMILESCc1ccc2c(=O)c(Oc3nc(C)cc(C)n3)c(-c3ccc(Cl)cc3)oc2c1
InChIInChI=1S/C22H17ClN2O3/c1-12-4-9-17-18(10-12)27-20(15-5-7-16(23)8-6-15)21(19(17)26)28-22-24-13(2)11-14(3)25-22/h4-11H,1-3H3
InChIKeyCWMBRHKJGTVMRK-UHFFFAOYSA-N
XLogP5.62
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-[2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxypropanoate
CID 4112757
2-(4-chlorophenyl)-7-methyl-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
CID 4126222
3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)chromen-4-one
CID 1413730
[2-(4-tert-butylphenyl)-7-methyl-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate
CID 4088706
[2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 4302198
3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 1413736
6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one
CID 7746663
6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746678
methyl 2-[2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxypropanoate
CID 5172607
6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one
CID 7747630
3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-5,7-dimethylchromen-4-one
CID 1413734
2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999721

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one (CID 1413717) is 2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one is Cc1ccc2c(=O)c(Oc3nc(C)cc(C)n3)c(-c3ccc(Cl)cc3)oc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one?
The InChIKey is CWMBRHKJGTVMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-12-4-9-17-18(10-12)27-20(15-5-7-16(23)8-6-15)21(19(17)26)28-22-24-13(2)11-14(3)25-22/h4-11H,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one?
2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one has a molecular weight of 392.84 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one is sourced from PubChem (CID 1413717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).