4-azido-7-(diethylamino)chromen-2-one

C13H14N4O2 — CID 91426340

IUPAC4-azido-7-(diethylamino)chromen-2-one
SMILESCCN(CC)c1ccc2c(N=[N+]=[N-])cc(=O)oc2c1
InChIInChI=1S/C13H14N4O2/c1-3-17(4-2)9-5-6-10-11(15-16-14)8-13(18)19-12(10)7-9/h5-8H,3-4H2,1-2H3
InChIKeyYSIAGNQCXSAKRQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.58
Rot. Bonds4

About 4-azido-7-(diethylamino)chromen-2-one

4-azido-7-(diethylamino)chromen-2-one (PubChem CID 91426340) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-azido-7-(diethylamino)chromen-2-one.

Molecular Properties

Compound Name4-azido-7-(diethylamino)chromen-2-one
PubChem CID91426340
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-azido-7-(diethylamino)chromen-2-one
SMILESCCN(CC)c1ccc2c(N=[N+]=[N-])cc(=O)oc2c1
InChIInChI=1S/C13H14N4O2/c1-3-17(4-2)9-5-6-10-11(15-16-14)8-13(18)19-12(10)7-9/h5-8H,3-4H2,1-2H3
InChIKeyYSIAGNQCXSAKRQ-UHFFFAOYSA-N
XLogP3.58
TPSA82.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

7-(diethylamino)-4-methylchromen-2-one sulfate
CID 23622381
sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid
CID 174050797
7-(diethylamino)-5-methylchromen-2-one
CID 164804520
7-(diethylamino)-5-(trifluoromethyl)chromen-2-one
CID 87910268
7-(diethylamino)-4-(5-hydroxy-1,3-dioxan-2-yl)chromen-2-one
CID 154718163
6,16-bis(diethylamino)-9,19-dioxapentacyclo[10.8.0.02,11.03,8.013,18]icosa-1(12),2(11),3(8),4,6,13(18),14,16-octaene-10,20-dione
CID 142217669
7-(diethylamino)-4-[4-(hydroxymethyl)phenyl]chromen-2-one
CID 72546247
7-[ethyl(methyl)amino]-4-methylchromen-2-one
CID 142927379
7-(dibutylamino)-4-methylchromen-2-one
CID 57354868
7-azido-6-fluoro-4-methylchromen-2-one
CID 132502104
7-(diethylamino)chromen-2-one;formonitrile
CID 134347975
3-(diethylamino)benzo[c][1]benzoxepine-6,11-dione
CID 10085865

Frequently Asked Questions

What is the IUPAC name of 4-azido-7-(diethylamino)chromen-2-one?
The IUPAC name of 4-azido-7-(diethylamino)chromen-2-one (CID 91426340) is 4-azido-7-(diethylamino)chromen-2-one.
What is the SMILES notation for 4-azido-7-(diethylamino)chromen-2-one?
The canonical SMILES for 4-azido-7-(diethylamino)chromen-2-one is CCN(CC)c1ccc2c(N=[N+]=[N-])cc(=O)oc2c1.
What is the InChIKey of 4-azido-7-(diethylamino)chromen-2-one?
The InChIKey is YSIAGNQCXSAKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-3-17(4-2)9-5-6-10-11(15-16-14)8-13(18)19-12(10)7-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-azido-7-(diethylamino)chromen-2-one?
4-azido-7-(diethylamino)chromen-2-one has a molecular weight of 258.28 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-7-(diethylamino)chromen-2-one is sourced from PubChem (CID 91426340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).