7-amino-8-benzoyl-5-phenylchromen-4-one

C22H15NO3 — CID 154288384

IUPAC7-amino-8-benzoyl-5-phenylchromen-4-one
SMILESNc1cc(-c2ccccc2)c2c(=O)ccoc2c1C(=O)c1ccccc1
InChIInChI=1S/C22H15NO3/c23-17-13-16(14-7-3-1-4-8-14)19-18(24)11-12-26-22(19)20(17)21(25)15-9-5-2-6-10-15/h1-13H,23H2
InChIKeySWUCYBMKAMJVEN-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.27
Rot. Bonds3

About 7-amino-8-benzoyl-5-phenylchromen-4-one

7-amino-8-benzoyl-5-phenylchromen-4-one (PubChem CID 154288384) has the molecular formula C22H15NO3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 7-amino-8-benzoyl-5-phenylchromen-4-one.

Molecular Properties

Compound Name7-amino-8-benzoyl-5-phenylchromen-4-one
PubChem CID154288384
Molecular FormulaC22H15NO3
Molecular Weight341.37 g/mol
Exact Mass341.11
IUPAC Name7-amino-8-benzoyl-5-phenylchromen-4-one
SMILESNc1cc(-c2ccccc2)c2c(=O)ccoc2c1C(=O)c1ccccc1
InChIInChI=1S/C22H15NO3/c23-17-13-16(14-7-3-1-4-8-14)19-18(24)11-12-26-22(19)20(17)21(25)15-9-5-2-6-10-15/h1-13H,23H2
InChIKeySWUCYBMKAMJVEN-UHFFFAOYSA-N
XLogP4.27
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-benzoyl-8-phenylcyclohepta[b]furan-6-one
CID 122393884
phenyl-(2,4,6-triphenylphenyl)methanone
CID 3631606
5-amino-4-benzoyl-1,2-oxazol-3-one
CID 174251259
2-aminoazulene-1-carboxylic acid
CID 139642161
2-benzoyl-6-phenylbenzoic acid
CID 174388121
bis(4-amino-2-phenylphenyl)methanone
CID 70118096
(4,5-diphenylfuran-2-yl)-phenylmethanone
CID 134830514
(2-aminopyren-1-yl)-phenylmethanone
CID 154364824
diphenylmethanone
CID 3102
(2-methyl-3,4,6-triphenylphenyl)-phenylmethanone
CID 13495520
(4-amino-3-methylphenyl)-(4-phenylphenyl)methanone
CID 91678510
7-benzoyl-6-phenylcyclohepta[b][1]benzofuran-8-one
CID 122393898

Frequently Asked Questions

What is the IUPAC name of 7-amino-8-benzoyl-5-phenylchromen-4-one?
The IUPAC name of 7-amino-8-benzoyl-5-phenylchromen-4-one (CID 154288384) is 7-amino-8-benzoyl-5-phenylchromen-4-one.
What is the SMILES notation for 7-amino-8-benzoyl-5-phenylchromen-4-one?
The canonical SMILES for 7-amino-8-benzoyl-5-phenylchromen-4-one is Nc1cc(-c2ccccc2)c2c(=O)ccoc2c1C(=O)c1ccccc1.
What is the InChIKey of 7-amino-8-benzoyl-5-phenylchromen-4-one?
The InChIKey is SWUCYBMKAMJVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO3/c23-17-13-16(14-7-3-1-4-8-14)19-18(24)11-12-26-22(19)20(17)21(25)15-9-5-2-6-10-15/h1-13H,23H2.
What are the key properties of 7-amino-8-benzoyl-5-phenylchromen-4-one?
7-amino-8-benzoyl-5-phenylchromen-4-one has a molecular weight of 341.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-benzoyl-5-phenylchromen-4-one is sourced from PubChem (CID 154288384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).