3-[(6-bromo-2-methylquinolin-4-yl)diazenyl]-1H-indol-2-ol

C18H13BrN4O — CID 3386737

IUPAC3-[(6-bromo-2-methylquinolin-4-yl)diazenyl]-1H-indol-2-ol
SMILESCc1cc(/N=N/c2c(O)[nH]c3ccccc23)c2cc(Br)ccc2n1
InChIInChI=1S/C18H13BrN4O/c1-10-8-16(13-9-11(19)6-7-15(13)20-10)22-23-17-12-4-2-3-5-14(12)21-18(17)24/h2-9,21,24H,1H3/b23-22+
InChIKeyNWLHWFDSICASLH-GHVJWSGMSA-N
MW381.23 g/mol
LogP5.91
Rot. Bonds2

About 3-[(6-bromo-2-methylquinolin-4-yl)diazenyl]-1H-indol-2-ol

3-[(6-bromo-2-methylquinolin-4-yl)diazenyl]-1H-indol-2-ol (PubChem CID 3386737) has the molecular formula C18H13BrN4O and a molecular weight of 381.23 g/mol. Its IUPAC name is 3-[(6-bromo-2-methylquinolin-4-yl)diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(6-bromo-2-methylquinolin-4-yl)diazenyl]-1H-indol-2-ol
PubChem CID3386737
Molecular FormulaC18H13BrN4O
Molecular Weight381.23 g/mol
Exact Mass380.03
IUPAC Name3-[(6-bromo-2-methylquinolin-4-yl)diazenyl]-1H-indol-2-ol
SMILESCc1cc(/N=N/c2c(O)[nH]c3ccccc23)c2cc(Br)ccc2n1
InChIInChI=1S/C18H13BrN4O/c1-10-8-16(13-9-11(19)6-7-15(13)20-10)22-23-17-12-4-2-3-5-14(12)21-18(17)24/h2-9,21,24H,1H3/b23-22+
InChIKeyNWLHWFDSICASLH-GHVJWSGMSA-N
XLogP5.91
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.23
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol
CID 136860025
5-bromo-3-[(4,6-dianilino-1,3,5-triazin-2-yl)diazenyl]-1H-indol-2-ol
CID 137117422
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 749764
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide
CID 1373160
2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
CID 3784946
3-(quinolin-8-yldiazenyl)-1H-indol-2-ol
CID 4241264
5-bromo-3-[(7-chloroquinolin-4-yl)diazenyl]-1H-indol-2-ol
CID 3899987
3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol bromide
CID 135794067
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 172653644
2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 165415929
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 135771220
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide
CID 3347736

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-2-methylquinolin-4-yl)diazenyl]-1H-indol-2-ol?
The IUPAC name of 3-[(6-bromo-2-methylquinolin-4-yl)diazenyl]-1H-indol-2-ol (CID 3386737) is 3-[(6-bromo-2-methylquinolin-4-yl)diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(6-bromo-2-methylquinolin-4-yl)diazenyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(6-bromo-2-methylquinolin-4-yl)diazenyl]-1H-indol-2-ol is Cc1cc(/N=N/c2c(O)[nH]c3ccccc23)c2cc(Br)ccc2n1.
What is the InChIKey of 3-[(6-bromo-2-methylquinolin-4-yl)diazenyl]-1H-indol-2-ol?
The InChIKey is NWLHWFDSICASLH-GHVJWSGMSA-N. The full InChI is InChI=1S/C18H13BrN4O/c1-10-8-16(13-9-11(19)6-7-15(13)20-10)22-23-17-12-4-2-3-5-14(12)21-18(17)24/h2-9,21,24H,1H3/b23-22+.
What are the key properties of 3-[(6-bromo-2-methylquinolin-4-yl)diazenyl]-1H-indol-2-ol?
3-[(6-bromo-2-methylquinolin-4-yl)diazenyl]-1H-indol-2-ol has a molecular weight of 381.23 g/mol, XLogP of 5.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-2-methylquinolin-4-yl)diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 3386737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).