2-(2-chloroquinolin-3-yl)-1H-indol-5-ol

C17H11ClN2O — CID 139947768

IUPAC2-(2-chloroquinolin-3-yl)-1H-indol-5-ol
SMILESOc1ccc2[nH]c(-c3cc4ccccc4nc3Cl)cc2c1
InChIInChI=1S/C17H11ClN2O/c18-17-13(8-10-3-1-2-4-14(10)20-17)16-9-11-7-12(21)5-6-15(11)19-16/h1-9,19,21H
InChIKeyWQOXETWBGDFLLM-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.74
Rot. Bonds1

About 2-(2-chloroquinolin-3-yl)-1H-indol-5-ol

2-(2-chloroquinolin-3-yl)-1H-indol-5-ol (PubChem CID 139947768) has the molecular formula C17H11ClN2O and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-(2-chloroquinolin-3-yl)-1H-indol-5-ol.

Molecular Properties

Compound Name2-(2-chloroquinolin-3-yl)-1H-indol-5-ol
PubChem CID139947768
Molecular FormulaC17H11ClN2O
Molecular Weight294.74 g/mol
Exact Mass294.06
IUPAC Name2-(2-chloroquinolin-3-yl)-1H-indol-5-ol
SMILESOc1ccc2[nH]c(-c3cc4ccccc4nc3Cl)cc2c1
InChIInChI=1S/C17H11ClN2O/c18-17-13(8-10-3-1-2-4-14(10)20-17)16-9-11-7-12(21)5-6-15(11)19-16/h1-9,19,21H
InChIKeyWQOXETWBGDFLLM-UHFFFAOYSA-N
XLogP4.74
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroquinolin-3-yl)-1H-indol-5-ol?
The IUPAC name of 2-(2-chloroquinolin-3-yl)-1H-indol-5-ol (CID 139947768) is 2-(2-chloroquinolin-3-yl)-1H-indol-5-ol.
What is the SMILES notation for 2-(2-chloroquinolin-3-yl)-1H-indol-5-ol?
The canonical SMILES for 2-(2-chloroquinolin-3-yl)-1H-indol-5-ol is Oc1ccc2[nH]c(-c3cc4ccccc4nc3Cl)cc2c1.
What is the InChIKey of 2-(2-chloroquinolin-3-yl)-1H-indol-5-ol?
The InChIKey is WQOXETWBGDFLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O/c18-17-13(8-10-3-1-2-4-14(10)20-17)16-9-11-7-12(21)5-6-15(11)19-16/h1-9,19,21H.
What are the key properties of 2-(2-chloroquinolin-3-yl)-1H-indol-5-ol?
2-(2-chloroquinolin-3-yl)-1H-indol-5-ol has a molecular weight of 294.74 g/mol, XLogP of 4.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroquinolin-3-yl)-1H-indol-5-ol is sourced from PubChem (CID 139947768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).