2-oxo-4-(4-phenyldiazenylanilino)chromene-3-carbaldehyde

C22H15N3O3 — CID 155979981

IUPAC2-oxo-4-(4-phenyldiazenylanilino)chromene-3-carbaldehyde
SMILESO=Cc1c(Nc2ccc(/N=N/c3ccccc3)cc2)c2ccccc2oc1=O
InChIInChI=1S/C22H15N3O3/c26-14-19-21(18-8-4-5-9-20(18)28-22(19)27)23-15-10-12-17(13-11-15)25-24-16-6-2-1-3-7-16/h1-14,23H/b25-24+
InChIKeyOQFYTYXLRDWJIB-OCOZRVBESA-N
MW369.38 g/mol
LogP5.76
Rot. Bonds5

About 2-oxo-4-(4-phenyldiazenylanilino)chromene-3-carbaldehyde

2-oxo-4-(4-phenyldiazenylanilino)chromene-3-carbaldehyde (PubChem CID 155979981) has the molecular formula C22H15N3O3 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-oxo-4-(4-phenyldiazenylanilino)chromene-3-carbaldehyde.

Molecular Properties

Compound Name2-oxo-4-(4-phenyldiazenylanilino)chromene-3-carbaldehyde
PubChem CID155979981
Molecular FormulaC22H15N3O3
Molecular Weight369.38 g/mol
Exact Mass369.11
IUPAC Name2-oxo-4-(4-phenyldiazenylanilino)chromene-3-carbaldehyde
SMILESO=Cc1c(Nc2ccc(/N=N/c3ccccc3)cc2)c2ccccc2oc1=O
InChIInChI=1S/C22H15N3O3/c26-14-19-21(18-8-4-5-9-20(18)28-22(19)27)23-15-10-12-17(13-11-15)25-24-16-6-2-1-3-7-16/h1-14,23H/b25-24+
InChIKeyOQFYTYXLRDWJIB-OCOZRVBESA-N
XLogP5.76
TPSA84.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.38
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-anilino-3-phenylchromen-2-one
CID 2785512
4-azido-2-oxochromene-3-carbaldehyde
CID 15046363
3-(ethylamino)-2-oxochromene-4-carbaldehyde
CID 141363714
4-[[(3E,5Z)-6-methylocta-3,5,7-trien-3-yl]amino]-2-oxochromene-3-carbaldehyde
CID 143579263
2-anilinochromen-4-one
CID 10823780
3-amino-4-hydrazinylchromen-2-one
CID 158299605
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
3-[(4-fluorophenyl)iminomethyl]-4-hydroxychromen-2-one
CID 135437457
3-ethenyl-4-phenylchromen-2-one
CID 24787269
3-[(3-amino-2-oxochromen-4-yl)amino]benzoate
CID 4200246
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-(2-hydroxy-5-phenyldiazenylphenyl)methyl]chromen-2-one
CID 137083141
4-(4-methoxyanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 102416335

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-(4-phenyldiazenylanilino)chromene-3-carbaldehyde?
The IUPAC name of 2-oxo-4-(4-phenyldiazenylanilino)chromene-3-carbaldehyde (CID 155979981) is 2-oxo-4-(4-phenyldiazenylanilino)chromene-3-carbaldehyde.
What is the SMILES notation for 2-oxo-4-(4-phenyldiazenylanilino)chromene-3-carbaldehyde?
The canonical SMILES for 2-oxo-4-(4-phenyldiazenylanilino)chromene-3-carbaldehyde is O=Cc1c(Nc2ccc(/N=N/c3ccccc3)cc2)c2ccccc2oc1=O.
What is the InChIKey of 2-oxo-4-(4-phenyldiazenylanilino)chromene-3-carbaldehyde?
The InChIKey is OQFYTYXLRDWJIB-OCOZRVBESA-N. The full InChI is InChI=1S/C22H15N3O3/c26-14-19-21(18-8-4-5-9-20(18)28-22(19)27)23-15-10-12-17(13-11-15)25-24-16-6-2-1-3-7-16/h1-14,23H/b25-24+.
What are the key properties of 2-oxo-4-(4-phenyldiazenylanilino)chromene-3-carbaldehyde?
2-oxo-4-(4-phenyldiazenylanilino)chromene-3-carbaldehyde has a molecular weight of 369.38 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-(4-phenyldiazenylanilino)chromene-3-carbaldehyde is sourced from PubChem (CID 155979981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).