3-[(2,4-diaminophenyl)diazenyl]-7-(diethylamino)chromen-2-one

C19H21N5O2 — CID 132564493

IUPAC3-[(2,4-diaminophenyl)diazenyl]-7-(diethylamino)chromen-2-one
SMILESCCN(CC)c1ccc2cc(/N=N/c3ccc(N)cc3N)c(=O)oc2c1
InChIInChI=1S/C19H21N5O2/c1-3-24(4-2)14-7-5-12-9-17(19(25)26-18(12)11-14)23-22-16-8-6-13(20)10-15(16)21/h5-11H,3-4,20-21H2,1-2H3/b23-22+
InChIKeyDPRMYUKZIVYJQE-GHVJWSGMSA-N
MW351.41 g/mol
LogP4.22
Rot. Bonds5

About 3-[(2,4-diaminophenyl)diazenyl]-7-(diethylamino)chromen-2-one

3-[(2,4-diaminophenyl)diazenyl]-7-(diethylamino)chromen-2-one (PubChem CID 132564493) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[(2,4-diaminophenyl)diazenyl]-7-(diethylamino)chromen-2-one.

Molecular Properties

Compound Name3-[(2,4-diaminophenyl)diazenyl]-7-(diethylamino)chromen-2-one
PubChem CID132564493
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-[(2,4-diaminophenyl)diazenyl]-7-(diethylamino)chromen-2-one
SMILESCCN(CC)c1ccc2cc(/N=N/c3ccc(N)cc3N)c(=O)oc2c1
InChIInChI=1S/C19H21N5O2/c1-3-24(4-2)14-7-5-12-9-17(19(25)26-18(12)11-14)23-22-16-8-6-13(20)10-15(16)21/h5-11H,3-4,20-21H2,1-2H3/b23-22+
InChIKeyDPRMYUKZIVYJQE-GHVJWSGMSA-N
XLogP4.22
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-(diethylamino)-3-(dimethylamino)chromen-2-one
CID 71412900
7-(diethylamino)-3-[(2-hydroxyphenyl)methylideneamino]chromen-2-one
CID 136745134
7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588
7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one
CID 170986866
7-(diethylamino)-2-oxochromene-3-carbonyl iodide
CID 163528355
3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one
CID 13126342
[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]thiourea
CID 5403478
(E)-3-[7-(diethylamino)-2-oxochromen-3-yl]prop-2-enoic acid
CID 171475354
3-[7-(diethylamino)-2-oxochromen-3-yl]prop-2-enoic acid
CID 171475352
[7-(diethylamino)-2-oxochromen-3-yl]methyl acetate;propane
CID 142122971
[(E,3S)-3-[7-(diethylamino)-2-oxochromen-3-yl]-3-sulfanylprop-1-enyl]azanide
CID 166593957
7-(diethylamino)-3-(5-methyl-1,3,4-thiadiazol-2-yl)chromen-2-one
CID 10519425

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-diaminophenyl)diazenyl]-7-(diethylamino)chromen-2-one?
The IUPAC name of 3-[(2,4-diaminophenyl)diazenyl]-7-(diethylamino)chromen-2-one (CID 132564493) is 3-[(2,4-diaminophenyl)diazenyl]-7-(diethylamino)chromen-2-one.
What is the SMILES notation for 3-[(2,4-diaminophenyl)diazenyl]-7-(diethylamino)chromen-2-one?
The canonical SMILES for 3-[(2,4-diaminophenyl)diazenyl]-7-(diethylamino)chromen-2-one is CCN(CC)c1ccc2cc(/N=N/c3ccc(N)cc3N)c(=O)oc2c1.
What is the InChIKey of 3-[(2,4-diaminophenyl)diazenyl]-7-(diethylamino)chromen-2-one?
The InChIKey is DPRMYUKZIVYJQE-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-3-24(4-2)14-7-5-12-9-17(19(25)26-18(12)11-14)23-22-16-8-6-13(20)10-15(16)21/h5-11H,3-4,20-21H2,1-2H3/b23-22+.
What are the key properties of 3-[(2,4-diaminophenyl)diazenyl]-7-(diethylamino)chromen-2-one?
3-[(2,4-diaminophenyl)diazenyl]-7-(diethylamino)chromen-2-one has a molecular weight of 351.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-diaminophenyl)diazenyl]-7-(diethylamino)chromen-2-one is sourced from PubChem (CID 132564493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).