[4-[[8-(chlorodiazenyl)quinolin-5-yl]diazenyl]phenyl] hydrogen carbonate

C16H10ClN5O3 — CID 20796077

IUPAC[4-[[8-(chlorodiazenyl)quinolin-5-yl]diazenyl]phenyl] hydrogen carbonate
SMILESO=C(O)Oc1ccc(/N=N/c2ccc(/N=N/Cl)c3ncccc23)cc1
InChIInChI=1S/C16H10ClN5O3/c17-22-21-14-8-7-13(12-2-1-9-18-15(12)14)20-19-10-3-5-11(6-4-10)25-16(23)24/h1-9H,(H,23,24)/b20-19+,22-21+
InChIKeyYKODVWJFGOGCKK-DKHHWMATSA-N
MW355.74 g/mol
LogP5.94
Rot. Bonds4

About [4-[[8-(chlorodiazenyl)quinolin-5-yl]diazenyl]phenyl] hydrogen carbonate

[4-[[8-(chlorodiazenyl)quinolin-5-yl]diazenyl]phenyl] hydrogen carbonate (PubChem CID 20796077) has the molecular formula C16H10ClN5O3 and a molecular weight of 355.74 g/mol. Its IUPAC name is [4-[[8-(chlorodiazenyl)quinolin-5-yl]diazenyl]phenyl] hydrogen carbonate.

Molecular Properties

Compound Name[4-[[8-(chlorodiazenyl)quinolin-5-yl]diazenyl]phenyl] hydrogen carbonate
PubChem CID20796077
Molecular FormulaC16H10ClN5O3
Molecular Weight355.74 g/mol
Exact Mass355.05
IUPAC Name[4-[[8-(chlorodiazenyl)quinolin-5-yl]diazenyl]phenyl] hydrogen carbonate
SMILESO=C(O)Oc1ccc(/N=N/c2ccc(/N=N/Cl)c3ncccc23)cc1
InChIInChI=1S/C16H10ClN5O3/c17-22-21-14-8-7-13(12-2-1-9-18-15(12)14)20-19-10-3-5-11(6-4-10)25-16(23)24/h1-9H,(H,23,24)/b20-19+,22-21+
InChIKeyYKODVWJFGOGCKK-DKHHWMATSA-N
XLogP5.94
TPSA108.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.74
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-sulfanylphenyl)diazenyl]quinolin-8-ol
CID 136791378
(8-methylquinolin-5-yl)-phenyldiazene
CID 58482903
carbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene
CID 123443435
8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde
CID 135404716
3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid
CID 71344750
8-hydroxy-7-[[5-[(4-isocyanophenyl)diazenyl]quinolin-8-yl]diazenyl]quinoline-5-sulfonic acid
CID 135974886
[5-(naphthalen-1-yldiazenyl)quinolin-8-yl] (3S)-3-phenylbutanoate
CID 101461426
8-[(2-fluorophenyl)diazenyl]quinolin-5-ol
CID 135672550
bis(8-hydroxy-5-[(4-methylphenyl)diazenyl]quinoline-7-carbaldehyde);nickel
CID 135545236
[2-chloro-4-[(8-hydroxyquinolin-5-yl)diazenyl]phenyl] thiocyanate
CID 589164
5-phenyldiazenyl-8-sulfanylquinoline-2-carboxylic acid
CID 154364142
[3-methyl-4-[[4-[(2-methyl-4-phenoxycarbonyloxyphenyl)diazenyl]phenyl]diazenyl]phenyl] benzoate
CID 88760354

Frequently Asked Questions

What is the IUPAC name of [4-[[8-(chlorodiazenyl)quinolin-5-yl]diazenyl]phenyl] hydrogen carbonate?
The IUPAC name of [4-[[8-(chlorodiazenyl)quinolin-5-yl]diazenyl]phenyl] hydrogen carbonate (CID 20796077) is [4-[[8-(chlorodiazenyl)quinolin-5-yl]diazenyl]phenyl] hydrogen carbonate.
What is the SMILES notation for [4-[[8-(chlorodiazenyl)quinolin-5-yl]diazenyl]phenyl] hydrogen carbonate?
The canonical SMILES for [4-[[8-(chlorodiazenyl)quinolin-5-yl]diazenyl]phenyl] hydrogen carbonate is O=C(O)Oc1ccc(/N=N/c2ccc(/N=N/Cl)c3ncccc23)cc1.
What is the InChIKey of [4-[[8-(chlorodiazenyl)quinolin-5-yl]diazenyl]phenyl] hydrogen carbonate?
The InChIKey is YKODVWJFGOGCKK-DKHHWMATSA-N. The full InChI is InChI=1S/C16H10ClN5O3/c17-22-21-14-8-7-13(12-2-1-9-18-15(12)14)20-19-10-3-5-11(6-4-10)25-16(23)24/h1-9H,(H,23,24)/b20-19+,22-21+.
What are the key properties of [4-[[8-(chlorodiazenyl)quinolin-5-yl]diazenyl]phenyl] hydrogen carbonate?
[4-[[8-(chlorodiazenyl)quinolin-5-yl]diazenyl]phenyl] hydrogen carbonate has a molecular weight of 355.74 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[8-(chlorodiazenyl)quinolin-5-yl]diazenyl]phenyl] hydrogen carbonate is sourced from PubChem (CID 20796077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).