carbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene

C17H13N3O2 — CID 123443435

IUPACcarbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene
SMILESCc1ccc(/N=N/c2ccccc2)c2cccnc12.O=C=O
InChIInChI=1S/C16H13N3.CO2/c1-12-9-10-15(14-8-5-11-17-16(12)14)19-18-13-6-3-2-4-7-13;2-1-3/h2-11H,1H3;/b19-18+;
InChIKeyMWNSWYYOFOQXIJ-LTRPLHCISA-N
MW291.31 g/mol
LogP4.38
Rot. Bonds2

About carbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene

carbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene (PubChem CID 123443435) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is carbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene.

Molecular Properties

Compound Namecarbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene
PubChem CID123443435
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Namecarbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene
SMILESCc1ccc(/N=N/c2ccccc2)c2cccnc12.O=C=O
InChIInChI=1S/C16H13N3.CO2/c1-12-9-10-15(14-8-5-11-17-16(12)14)19-18-13-6-3-2-4-7-13;2-1-3/h2-11H,1H3;/b19-18+;
InChIKeyMWNSWYYOFOQXIJ-LTRPLHCISA-N
XLogP4.38
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.38
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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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene?
The IUPAC name of carbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene (CID 123443435) is carbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene.
What is the SMILES notation for carbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene?
The canonical SMILES for carbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene is Cc1ccc(/N=N/c2ccccc2)c2cccnc12.O=C=O.
What is the InChIKey of carbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene?
The InChIKey is MWNSWYYOFOQXIJ-LTRPLHCISA-N. The full InChI is InChI=1S/C16H13N3.CO2/c1-12-9-10-15(14-8-5-11-17-16(12)14)19-18-13-6-3-2-4-7-13;2-1-3/h2-11H,1H3;/b19-18+;.
What are the key properties of carbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene?
carbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene has a molecular weight of 291.31 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene is sourced from PubChem (CID 123443435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).