1,5-dimethyl-3-(quinolin-8-yldiazenyl)indol-2-ol

C19H16N4O — CID 3815111

IUPAC1,5-dimethyl-3-(quinolin-8-yldiazenyl)indol-2-ol
SMILESCc1ccc2c(c1)c(/N=N/c1cccc3cccnc13)c(O)n2C
InChIInChI=1S/C19H16N4O/c1-12-8-9-16-14(11-12)18(19(24)23(16)2)22-21-15-7-3-5-13-6-4-10-20-17(13)15/h3-11,24H,1-2H3/b22-21+
InChIKeyIVFVTZRNGVGTFJ-QURGRASLSA-N
MW316.36 g/mol
LogP5.16
Rot. Bonds2

About 1,5-dimethyl-3-(quinolin-8-yldiazenyl)indol-2-ol

1,5-dimethyl-3-(quinolin-8-yldiazenyl)indol-2-ol (PubChem CID 3815111) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 1,5-dimethyl-3-(quinolin-8-yldiazenyl)indol-2-ol.

Molecular Properties

Compound Name1,5-dimethyl-3-(quinolin-8-yldiazenyl)indol-2-ol
PubChem CID3815111
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name1,5-dimethyl-3-(quinolin-8-yldiazenyl)indol-2-ol
SMILESCc1ccc2c(c1)c(/N=N/c1cccc3cccnc13)c(O)n2C
InChIInChI=1S/C19H16N4O/c1-12-8-9-16-14(11-12)18(19(24)23(16)2)22-21-15-7-3-5-13-6-4-10-20-17(13)15/h3-11,24H,1-2H3/b22-21+
InChIKeyIVFVTZRNGVGTFJ-QURGRASLSA-N
XLogP5.16
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.36
LogP ≤ 55.16
H-Bond Donors ≤ 51
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 1,5-dimethyl-3-(quinolin-8-yldiazenyl)indol-2-ol?
The IUPAC name of 1,5-dimethyl-3-(quinolin-8-yldiazenyl)indol-2-ol (CID 3815111) is 1,5-dimethyl-3-(quinolin-8-yldiazenyl)indol-2-ol.
What is the SMILES notation for 1,5-dimethyl-3-(quinolin-8-yldiazenyl)indol-2-ol?
The canonical SMILES for 1,5-dimethyl-3-(quinolin-8-yldiazenyl)indol-2-ol is Cc1ccc2c(c1)c(/N=N/c1cccc3cccnc13)c(O)n2C.
What is the InChIKey of 1,5-dimethyl-3-(quinolin-8-yldiazenyl)indol-2-ol?
The InChIKey is IVFVTZRNGVGTFJ-QURGRASLSA-N. The full InChI is InChI=1S/C19H16N4O/c1-12-8-9-16-14(11-12)18(19(24)23(16)2)22-21-15-7-3-5-13-6-4-10-20-17(13)15/h3-11,24H,1-2H3/b22-21+.
What are the key properties of 1,5-dimethyl-3-(quinolin-8-yldiazenyl)indol-2-ol?
1,5-dimethyl-3-(quinolin-8-yldiazenyl)indol-2-ol has a molecular weight of 316.36 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(quinolin-8-yldiazenyl)indol-2-ol is sourced from PubChem (CID 3815111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).