2-(4-aminophenyl)benzo[h]chromen-4-one

C19H13NO2 — CID 11471732

IUPAC2-(4-aminophenyl)benzo[h]chromen-4-one
SMILESNc1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)cc1
InChIInChI=1S/C19H13NO2/c20-14-8-5-13(6-9-14)18-11-17(21)16-10-7-12-3-1-2-4-15(12)19(16)22-18/h1-11H,20H2
InChIKeyJXHKSKYNJHBJDZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.20
Rot. Bonds1

About 2-(4-aminophenyl)benzo[h]chromen-4-one

2-(4-aminophenyl)benzo[h]chromen-4-one (PubChem CID 11471732) has the molecular formula C19H13NO2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(4-aminophenyl)benzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(4-aminophenyl)benzo[h]chromen-4-one
PubChem CID11471732
Molecular FormulaC19H13NO2
Molecular Weight287.32 g/mol
Exact Mass287.09
IUPAC Name2-(4-aminophenyl)benzo[h]chromen-4-one
SMILESNc1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)cc1
InChIInChI=1S/C19H13NO2/c20-14-8-5-13(6-9-14)18-11-17(21)16-10-7-12-3-1-2-4-15(12)19(16)22-18/h1-11H,20H2
InChIKeyJXHKSKYNJHBJDZ-UHFFFAOYSA-N
XLogP4.20
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-aminophenyl)benzo[h]chromen-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)benzo[h]chromen-4-one?
The IUPAC name of 2-(4-aminophenyl)benzo[h]chromen-4-one (CID 11471732) is 2-(4-aminophenyl)benzo[h]chromen-4-one.
What is the SMILES notation for 2-(4-aminophenyl)benzo[h]chromen-4-one?
The canonical SMILES for 2-(4-aminophenyl)benzo[h]chromen-4-one is Nc1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)cc1.
What is the InChIKey of 2-(4-aminophenyl)benzo[h]chromen-4-one?
The InChIKey is JXHKSKYNJHBJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2/c20-14-8-5-13(6-9-14)18-11-17(21)16-10-7-12-3-1-2-4-15(12)19(16)22-18/h1-11H,20H2.
What are the key properties of 2-(4-aminophenyl)benzo[h]chromen-4-one?
2-(4-aminophenyl)benzo[h]chromen-4-one has a molecular weight of 287.32 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)benzo[h]chromen-4-one is sourced from PubChem (CID 11471732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).