(4-phenoxycinnolin-6-yl)-phenyldiazene

C20H14N4O — CID 86018683

IUPAC(4-phenoxycinnolin-6-yl)-phenyldiazene
SMILESc1ccc(/N=N/c2ccc3nncc(Oc4ccccc4)c3c2)cc1
InChIInChI=1S/C20H14N4O/c1-3-7-15(8-4-1)22-23-16-11-12-19-18(13-16)20(14-21-24-19)25-17-9-5-2-6-10-17/h1-14H/b23-22+
InChIKeyLDHBPQHEBNMNPH-GHVJWSGMSA-N
MW326.36 g/mol
LogP5.84
Rot. Bonds4

About (4-phenoxycinnolin-6-yl)-phenyldiazene

(4-phenoxycinnolin-6-yl)-phenyldiazene (PubChem CID 86018683) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is (4-phenoxycinnolin-6-yl)-phenyldiazene.

Molecular Properties

Compound Name(4-phenoxycinnolin-6-yl)-phenyldiazene
PubChem CID86018683
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name(4-phenoxycinnolin-6-yl)-phenyldiazene
SMILESc1ccc(/N=N/c2ccc3nncc(Oc4ccccc4)c3c2)cc1
InChIInChI=1S/C20H14N4O/c1-3-7-15(8-4-1)22-23-16-11-12-19-18(13-16)20(14-21-24-19)25-17-9-5-2-6-10-17/h1-14H/b23-22+
InChIKeyLDHBPQHEBNMNPH-GHVJWSGMSA-N
XLogP5.84
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.36
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Cinnolinyl methyl ether
CID 292501
4-[(Z)-2-(2-methoxyphenyl)ethenyl]cinnoline
CID 54602268
5-Fluoro-4-prop-2-ynoxycinnoline
CID 177851022
4-(Cinnolin-4-yloxymethyl)benzonitrile
CID 8098224
7-Chloro-4-phenoxycinnoline
CID 596987
4-Prop-2-enoxycinnoline
CID 135060412
4-Phenoxycinnoline
CID 21991035
6-Chloro-4-phenoxycinnoline
CID 21991067
6-Nitro-4-phenoxycinnoline
CID 22252590
4-(Benzyloxy)-6-(trifluoromethyl)cinnoline
CID 68003671
6-Fluoro-8-iodo-4-[(4-methoxyphenyl)methoxy]cinnoline
CID 177201474
3-Bromo-4-phenoxycinnoline
CID 12678052

Frequently Asked Questions

What is the IUPAC name of (4-phenoxycinnolin-6-yl)-phenyldiazene?
The IUPAC name of (4-phenoxycinnolin-6-yl)-phenyldiazene (CID 86018683) is (4-phenoxycinnolin-6-yl)-phenyldiazene.
What is the SMILES notation for (4-phenoxycinnolin-6-yl)-phenyldiazene?
The canonical SMILES for (4-phenoxycinnolin-6-yl)-phenyldiazene is c1ccc(/N=N/c2ccc3nncc(Oc4ccccc4)c3c2)cc1.
What is the InChIKey of (4-phenoxycinnolin-6-yl)-phenyldiazene?
The InChIKey is LDHBPQHEBNMNPH-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H14N4O/c1-3-7-15(8-4-1)22-23-16-11-12-19-18(13-16)20(14-21-24-19)25-17-9-5-2-6-10-17/h1-14H/b23-22+.
What are the key properties of (4-phenoxycinnolin-6-yl)-phenyldiazene?
(4-phenoxycinnolin-6-yl)-phenyldiazene has a molecular weight of 326.36 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxycinnolin-6-yl)-phenyldiazene is sourced from PubChem (CID 86018683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).