5-bromo-3-[(7-chloroquinolin-4-yl)diazenyl]-1H-indol-2-ol

C17H10BrClN4O — CID 3899987

IUPAC5-bromo-3-[(7-chloroquinolin-4-yl)diazenyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(Br)cc2c1/N=N/c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H10BrClN4O/c18-9-1-4-13-12(7-9)16(17(24)21-13)23-22-14-5-6-20-15-8-10(19)2-3-11(14)15/h1-8,21,24H/b23-22+
InChIKeyOBGGZEUPJBSXSR-GHVJWSGMSA-N
MW401.65 g/mol
LogP6.25
Rot. Bonds2

About 5-bromo-3-[(7-chloroquinolin-4-yl)diazenyl]-1H-indol-2-ol

5-bromo-3-[(7-chloroquinolin-4-yl)diazenyl]-1H-indol-2-ol (PubChem CID 3899987) has the molecular formula C17H10BrClN4O and a molecular weight of 401.65 g/mol. Its IUPAC name is 5-bromo-3-[(7-chloroquinolin-4-yl)diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-bromo-3-[(7-chloroquinolin-4-yl)diazenyl]-1H-indol-2-ol
PubChem CID3899987
Molecular FormulaC17H10BrClN4O
Molecular Weight401.65 g/mol
Exact Mass399.97
IUPAC Name5-bromo-3-[(7-chloroquinolin-4-yl)diazenyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(Br)cc2c1/N=N/c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H10BrClN4O/c18-9-1-4-13-12(7-9)16(17(24)21-13)23-22-14-5-6-20-15-8-10(19)2-3-11(14)15/h1-8,21,24H/b23-22+
InChIKeyOBGGZEUPJBSXSR-GHVJWSGMSA-N
XLogP6.25
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.65
LogP ≤ 56.25
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'}

Analyze 5-bromo-3-[(7-chloroquinolin-4-yl)diazenyl]-1H-indol-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(7-chloroquinolin-4-yl)diazenyl]-1H-indol-2-ol?
The IUPAC name of 5-bromo-3-[(7-chloroquinolin-4-yl)diazenyl]-1H-indol-2-ol (CID 3899987) is 5-bromo-3-[(7-chloroquinolin-4-yl)diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 5-bromo-3-[(7-chloroquinolin-4-yl)diazenyl]-1H-indol-2-ol?
The canonical SMILES for 5-bromo-3-[(7-chloroquinolin-4-yl)diazenyl]-1H-indol-2-ol is Oc1[nH]c2ccc(Br)cc2c1/N=N/c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 5-bromo-3-[(7-chloroquinolin-4-yl)diazenyl]-1H-indol-2-ol?
The InChIKey is OBGGZEUPJBSXSR-GHVJWSGMSA-N. The full InChI is InChI=1S/C17H10BrClN4O/c18-9-1-4-13-12(7-9)16(17(24)21-13)23-22-14-5-6-20-15-8-10(19)2-3-11(14)15/h1-8,21,24H/b23-22+.
What are the key properties of 5-bromo-3-[(7-chloroquinolin-4-yl)diazenyl]-1H-indol-2-ol?
5-bromo-3-[(7-chloroquinolin-4-yl)diazenyl]-1H-indol-2-ol has a molecular weight of 401.65 g/mol, XLogP of 6.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(7-chloroquinolin-4-yl)diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 3899987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).