10-[(4-acetylphenyl)diazenyl]-2-amino-4-(4-fluorophenyl)-4H-benzo[g]chromene-3-carbonitrile

C28H19FN4O2 — CID 138454654

IUPAC10-[(4-acetylphenyl)diazenyl]-2-amino-4-(4-fluorophenyl)-4H-benzo[g]chromene-3-carbonitrile
SMILESCC(=O)c1ccc(/N=N/c2c3c(cc4ccccc24)C(c2ccc(F)cc2)C(C#N)=C(N)O3)cc1
InChIInChI=1S/C28H19FN4O2/c1-16(34)17-8-12-21(13-9-17)32-33-26-22-5-3-2-4-19(22)14-23-25(18-6-10-20(29)11-7-18)24(15-30)28(31)35-27(23)26/h2-14,25H,31H2,1H3/b33-32+
InChIKeyXBLREFBIEFLGJB-ULIFNZDWSA-N
MW462.48 g/mol
LogP6.82
Rot. Bonds4

About 10-[(4-acetylphenyl)diazenyl]-2-amino-4-(4-fluorophenyl)-4H-benzo[g]chromene-3-carbonitrile

10-[(4-acetylphenyl)diazenyl]-2-amino-4-(4-fluorophenyl)-4H-benzo[g]chromene-3-carbonitrile (PubChem CID 138454654) has the molecular formula C28H19FN4O2 and a molecular weight of 462.48 g/mol. Its IUPAC name is 10-[(4-acetylphenyl)diazenyl]-2-amino-4-(4-fluorophenyl)-4H-benzo[g]chromene-3-carbonitrile.

Molecular Properties

Compound Name10-[(4-acetylphenyl)diazenyl]-2-amino-4-(4-fluorophenyl)-4H-benzo[g]chromene-3-carbonitrile
PubChem CID138454654
Molecular FormulaC28H19FN4O2
Molecular Weight462.48 g/mol
Exact Mass462.15
IUPAC Name10-[(4-acetylphenyl)diazenyl]-2-amino-4-(4-fluorophenyl)-4H-benzo[g]chromene-3-carbonitrile
SMILESCC(=O)c1ccc(/N=N/c2c3c(cc4ccccc24)C(c2ccc(F)cc2)C(C#N)=C(N)O3)cc1
InChIInChI=1S/C28H19FN4O2/c1-16(34)17-8-12-21(13-9-17)32-33-26-22-5-3-2-4-19(22)14-23-25(18-6-10-20(29)11-7-18)24(15-30)28(31)35-27(23)26/h2-14,25H,31H2,1H3/b33-32+
InChIKeyXBLREFBIEFLGJB-ULIFNZDWSA-N
XLogP6.82
TPSA100.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.48
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 10-[(4-acetylphenyl)diazenyl]-2-amino-4-(4-fluorophenyl)-4H-benzo[g]chromene-3-carbonitrile 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

2-amino-4-(4-methoxyphenyl)-10-[(4-methylphenyl)diazenyl]-4H-benzo[g]chromene-3-carbonitrile
CID 138454648
(4S)-2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 680068
(4R)-2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 680069
2-amino-6-chloro-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 134876103
(4R)-2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 700282
(4R)-2-amino-4-(3-bromo-4-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 1379850
[2-amino-3-cyano-4-(3,4,5-trimethoxyphenyl)-4H-chromen-7-yl] 4-fluorobenzoate
CID 19123432
2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile
CID 4060700
[2-amino-3-cyano-4-(4-fluorophenyl)-4H-chromen-7-yl] 4-nitrobenzoate
CID 19121929
[2-amino-3-cyano-4-(4-fluorophenyl)-4H-chromen-7-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 19121934
[2-amino-3-cyano-4-(4-methoxyphenyl)-4H-chromen-7-yl] benzoate
CID 19121025
[2-amino-3-cyano-4-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-4H-chromen-7-yl] 4-methoxybenzoate
CID 19127261

Frequently Asked Questions

What is the IUPAC name of 10-[(4-acetylphenyl)diazenyl]-2-amino-4-(4-fluorophenyl)-4H-benzo[g]chromene-3-carbonitrile?
The IUPAC name of 10-[(4-acetylphenyl)diazenyl]-2-amino-4-(4-fluorophenyl)-4H-benzo[g]chromene-3-carbonitrile (CID 138454654) is 10-[(4-acetylphenyl)diazenyl]-2-amino-4-(4-fluorophenyl)-4H-benzo[g]chromene-3-carbonitrile.
What is the SMILES notation for 10-[(4-acetylphenyl)diazenyl]-2-amino-4-(4-fluorophenyl)-4H-benzo[g]chromene-3-carbonitrile?
The canonical SMILES for 10-[(4-acetylphenyl)diazenyl]-2-amino-4-(4-fluorophenyl)-4H-benzo[g]chromene-3-carbonitrile is CC(=O)c1ccc(/N=N/c2c3c(cc4ccccc24)C(c2ccc(F)cc2)C(C#N)=C(N)O3)cc1.
What is the InChIKey of 10-[(4-acetylphenyl)diazenyl]-2-amino-4-(4-fluorophenyl)-4H-benzo[g]chromene-3-carbonitrile?
The InChIKey is XBLREFBIEFLGJB-ULIFNZDWSA-N. The full InChI is InChI=1S/C28H19FN4O2/c1-16(34)17-8-12-21(13-9-17)32-33-26-22-5-3-2-4-19(22)14-23-25(18-6-10-20(29)11-7-18)24(15-30)28(31)35-27(23)26/h2-14,25H,31H2,1H3/b33-32+.
What are the key properties of 10-[(4-acetylphenyl)diazenyl]-2-amino-4-(4-fluorophenyl)-4H-benzo[g]chromene-3-carbonitrile?
10-[(4-acetylphenyl)diazenyl]-2-amino-4-(4-fluorophenyl)-4H-benzo[g]chromene-3-carbonitrile has a molecular weight of 462.48 g/mol, XLogP of 6.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-acetylphenyl)diazenyl]-2-amino-4-(4-fluorophenyl)-4H-benzo[g]chromene-3-carbonitrile is sourced from PubChem (CID 138454654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).