4-[4-(2-methylphenyl)piperazin-1-yl]benzo[h]chromen-2-one

C24H22N2O2 — CID 155527264

IUPAC4-[4-(2-methylphenyl)piperazin-1-yl]benzo[h]chromen-2-one
SMILESCc1ccccc1N1CCN(c2cc(=O)oc3c2ccc2ccccc23)CC1
InChIInChI=1S/C24H22N2O2/c1-17-6-2-5-9-21(17)25-12-14-26(15-13-25)22-16-23(27)28-24-19-8-4-3-7-18(19)10-11-20(22)24/h2-11,16H,12-15H2,1H3
InChIKeyAYAPUHWWPCSPGJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.58
Rot. Bonds2

About 4-[4-(2-methylphenyl)piperazin-1-yl]benzo[h]chromen-2-one

4-[4-(2-methylphenyl)piperazin-1-yl]benzo[h]chromen-2-one (PubChem CID 155527264) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-[4-(2-methylphenyl)piperazin-1-yl]benzo[h]chromen-2-one.

Molecular Properties

Compound Name4-[4-(2-methylphenyl)piperazin-1-yl]benzo[h]chromen-2-one
PubChem CID155527264
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name4-[4-(2-methylphenyl)piperazin-1-yl]benzo[h]chromen-2-one
SMILESCc1ccccc1N1CCN(c2cc(=O)oc3c2ccc2ccccc23)CC1
InChIInChI=1S/C24H22N2O2/c1-17-6-2-5-9-21(17)25-12-14-26(15-13-25)22-16-23(27)28-24-19-8-4-3-7-18(19)10-11-20(22)24/h2-11,16H,12-15H2,1H3
InChIKeyAYAPUHWWPCSPGJ-UHFFFAOYSA-N
XLogP4.58
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[4-(2-methylphenyl)piperazin-1-yl]benzo[h]chromen-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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylphenyl)piperazin-1-yl]benzo[h]chromen-2-one?
The IUPAC name of 4-[4-(2-methylphenyl)piperazin-1-yl]benzo[h]chromen-2-one (CID 155527264) is 4-[4-(2-methylphenyl)piperazin-1-yl]benzo[h]chromen-2-one.
What is the SMILES notation for 4-[4-(2-methylphenyl)piperazin-1-yl]benzo[h]chromen-2-one?
The canonical SMILES for 4-[4-(2-methylphenyl)piperazin-1-yl]benzo[h]chromen-2-one is Cc1ccccc1N1CCN(c2cc(=O)oc3c2ccc2ccccc23)CC1.
What is the InChIKey of 4-[4-(2-methylphenyl)piperazin-1-yl]benzo[h]chromen-2-one?
The InChIKey is AYAPUHWWPCSPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-17-6-2-5-9-21(17)25-12-14-26(15-13-25)22-16-23(27)28-24-19-8-4-3-7-18(19)10-11-20(22)24/h2-11,16H,12-15H2,1H3.
What are the key properties of 4-[4-(2-methylphenyl)piperazin-1-yl]benzo[h]chromen-2-one?
4-[4-(2-methylphenyl)piperazin-1-yl]benzo[h]chromen-2-one has a molecular weight of 370.45 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylphenyl)piperazin-1-yl]benzo[h]chromen-2-one is sourced from PubChem (CID 155527264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).