5-[(2-methyl-1,3-benzothiazol-6-yl)diazenyl]quinolin-8-ol

C17H12N4OS — CID 3676178

IUPAC5-[(2-methyl-1,3-benzothiazol-6-yl)diazenyl]quinolin-8-ol
SMILESCc1nc2ccc(/N=N/c3ccc(O)c4ncccc34)cc2s1
InChIInChI=1S/C17H12N4OS/c1-10-19-14-5-4-11(9-16(14)23-10)20-21-13-6-7-15(22)17-12(13)3-2-8-18-17/h2-9,22H,1H3/b21-20+
InChIKeyKQQPJUQDXPBCMM-QZQOTICOSA-N
MW320.38 g/mol
LogP5.27
Rot. Bonds2

About 5-[(2-methyl-1,3-benzothiazol-6-yl)diazenyl]quinolin-8-ol

5-[(2-methyl-1,3-benzothiazol-6-yl)diazenyl]quinolin-8-ol (PubChem CID 3676178) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 5-[(2-methyl-1,3-benzothiazol-6-yl)diazenyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(2-methyl-1,3-benzothiazol-6-yl)diazenyl]quinolin-8-ol
PubChem CID3676178
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC Name5-[(2-methyl-1,3-benzothiazol-6-yl)diazenyl]quinolin-8-ol
SMILESCc1nc2ccc(/N=N/c3ccc(O)c4ncccc34)cc2s1
InChIInChI=1S/C17H12N4OS/c1-10-19-14-5-4-11(9-16(14)23-10)20-21-13-6-7-15(22)17-12(13)3-2-8-18-17/h2-9,22H,1H3/b21-20+
InChIKeyKQQPJUQDXPBCMM-QZQOTICOSA-N
XLogP5.27
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.38
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-[(2-methyl-1,3-benzothiazol-6-yl)diazenyl]quinolin-8-ol?
The IUPAC name of 5-[(2-methyl-1,3-benzothiazol-6-yl)diazenyl]quinolin-8-ol (CID 3676178) is 5-[(2-methyl-1,3-benzothiazol-6-yl)diazenyl]quinolin-8-ol.
What is the SMILES notation for 5-[(2-methyl-1,3-benzothiazol-6-yl)diazenyl]quinolin-8-ol?
The canonical SMILES for 5-[(2-methyl-1,3-benzothiazol-6-yl)diazenyl]quinolin-8-ol is Cc1nc2ccc(/N=N/c3ccc(O)c4ncccc34)cc2s1.
What is the InChIKey of 5-[(2-methyl-1,3-benzothiazol-6-yl)diazenyl]quinolin-8-ol?
The InChIKey is KQQPJUQDXPBCMM-QZQOTICOSA-N. The full InChI is InChI=1S/C17H12N4OS/c1-10-19-14-5-4-11(9-16(14)23-10)20-21-13-6-7-15(22)17-12(13)3-2-8-18-17/h2-9,22H,1H3/b21-20+.
What are the key properties of 5-[(2-methyl-1,3-benzothiazol-6-yl)diazenyl]quinolin-8-ol?
5-[(2-methyl-1,3-benzothiazol-6-yl)diazenyl]quinolin-8-ol has a molecular weight of 320.38 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1,3-benzothiazol-6-yl)diazenyl]quinolin-8-ol is sourced from PubChem (CID 3676178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).