8-[4-(4-fluorophenyl)phthalazin-1-yl]oxy-4-methylchromen-2-one

C24H15FN2O3 — CID 6408971

IUPAC8-[4-(4-fluorophenyl)phthalazin-1-yl]oxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2c(Oc3nnc(-c4ccc(F)cc4)c4ccccc34)cccc12
InChIInChI=1S/C24H15FN2O3/c1-14-13-21(28)30-23-17(14)7-4-8-20(23)29-24-19-6-3-2-5-18(19)22(26-27-24)15-9-11-16(25)12-10-15/h2-13H,1H3
InChIKeyMHXQDXMDIKYKBR-UHFFFAOYSA-N
MW398.39 g/mol
LogP5.64
Rot. Bonds3

About 8-[4-(4-fluorophenyl)phthalazin-1-yl]oxy-4-methylchromen-2-one

8-[4-(4-fluorophenyl)phthalazin-1-yl]oxy-4-methylchromen-2-one (PubChem CID 6408971) has the molecular formula C24H15FN2O3 and a molecular weight of 398.39 g/mol. Its IUPAC name is 8-[4-(4-fluorophenyl)phthalazin-1-yl]oxy-4-methylchromen-2-one.

Molecular Properties

Compound Name8-[4-(4-fluorophenyl)phthalazin-1-yl]oxy-4-methylchromen-2-one
PubChem CID6408971
Molecular FormulaC24H15FN2O3
Molecular Weight398.39 g/mol
Exact Mass398.11
IUPAC Name8-[4-(4-fluorophenyl)phthalazin-1-yl]oxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2c(Oc3nnc(-c4ccc(F)cc4)c4ccccc34)cccc12
InChIInChI=1S/C24H15FN2O3/c1-14-13-21(28)30-23-17(14)7-4-8-20(23)29-24-19-6-3-2-5-18(19)22(26-27-24)15-9-11-16(25)12-10-15/h2-13H,1H3
InChIKeyMHXQDXMDIKYKBR-UHFFFAOYSA-N
XLogP5.64
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.39
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[4-(4-fluorophenyl)phthalazin-1-yl]oxy-4-methylchromen-2-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

4-methyl-8-phenoxychromen-2-one
CID 86228952
1-(2,4-dichlorophenoxy)-4-(4-fluorophenyl)phthalazine
CID 2132648
1-(2,5-dimethylphenoxy)-4-phenylphthalazine
CID 12797806
1-phenyl-4-(2,4,6-trimethylphenoxy)phthalazine
CID 154056698
4-methyl-8-propan-2-yloxychromen-2-one
CID 144546530
1-(3-fluorophenoxy)-4-phenylphthalazine
CID 22011922
2-(4-methyl-2-oxochromen-8-yl)oxyacetamide
CID 87996295
1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine
CID 6407636
4,8-dimethyl-7-[2-(trifluoromethyl)quinazolin-4-yl]oxychromen-2-one
CID 39963687
8-acetyl-7-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methylchromen-2-one
CID 4963496
8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one
CID 44599243
8-iodo-4-methylchromen-2-one
CID 130067017

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-fluorophenyl)phthalazin-1-yl]oxy-4-methylchromen-2-one?
The IUPAC name of 8-[4-(4-fluorophenyl)phthalazin-1-yl]oxy-4-methylchromen-2-one (CID 6408971) is 8-[4-(4-fluorophenyl)phthalazin-1-yl]oxy-4-methylchromen-2-one.
What is the SMILES notation for 8-[4-(4-fluorophenyl)phthalazin-1-yl]oxy-4-methylchromen-2-one?
The canonical SMILES for 8-[4-(4-fluorophenyl)phthalazin-1-yl]oxy-4-methylchromen-2-one is Cc1cc(=O)oc2c(Oc3nnc(-c4ccc(F)cc4)c4ccccc34)cccc12.
What is the InChIKey of 8-[4-(4-fluorophenyl)phthalazin-1-yl]oxy-4-methylchromen-2-one?
The InChIKey is MHXQDXMDIKYKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN2O3/c1-14-13-21(28)30-23-17(14)7-4-8-20(23)29-24-19-6-3-2-5-18(19)22(26-27-24)15-9-11-16(25)12-10-15/h2-13H,1H3.
What are the key properties of 8-[4-(4-fluorophenyl)phthalazin-1-yl]oxy-4-methylchromen-2-one?
8-[4-(4-fluorophenyl)phthalazin-1-yl]oxy-4-methylchromen-2-one has a molecular weight of 398.39 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-fluorophenyl)phthalazin-1-yl]oxy-4-methylchromen-2-one is sourced from PubChem (CID 6408971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).