[1-(2-bromoquinolin-3-yl)cyclobutyl]methanol

C14H14BrNO — CID 116985380

IUPAC[1-(2-bromoquinolin-3-yl)cyclobutyl]methanol
SMILESOCC1(c2cc3ccccc3nc2Br)CCC1
InChIInChI=1S/C14H14BrNO/c15-13-11(14(9-17)6-3-7-14)8-10-4-1-2-5-12(10)16-13/h1-2,4-5,8,17H,3,6-7,9H2
InChIKeyMICHYDYGELENJH-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.41
Rot. Bonds2

About [1-(2-bromoquinolin-3-yl)cyclobutyl]methanol

[1-(2-bromoquinolin-3-yl)cyclobutyl]methanol (PubChem CID 116985380) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is [1-(2-bromoquinolin-3-yl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(2-bromoquinolin-3-yl)cyclobutyl]methanol
PubChem CID116985380
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name[1-(2-bromoquinolin-3-yl)cyclobutyl]methanol
SMILESOCC1(c2cc3ccccc3nc2Br)CCC1
InChIInChI=1S/C14H14BrNO/c15-13-11(14(9-17)6-3-7-14)8-10-4-1-2-5-12(10)16-13/h1-2,4-5,8,17H,3,6-7,9H2
InChIKeyMICHYDYGELENJH-UHFFFAOYSA-N
XLogP3.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-(2-bromoquinolin-3-yl)cyclobutyl]methanol 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 [1-(2-bromoquinolin-3-yl)cyclobutyl]methanol?
The IUPAC name of [1-(2-bromoquinolin-3-yl)cyclobutyl]methanol (CID 116985380) is [1-(2-bromoquinolin-3-yl)cyclobutyl]methanol.
What is the SMILES notation for [1-(2-bromoquinolin-3-yl)cyclobutyl]methanol?
The canonical SMILES for [1-(2-bromoquinolin-3-yl)cyclobutyl]methanol is OCC1(c2cc3ccccc3nc2Br)CCC1.
What is the InChIKey of [1-(2-bromoquinolin-3-yl)cyclobutyl]methanol?
The InChIKey is MICHYDYGELENJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c15-13-11(14(9-17)6-3-7-14)8-10-4-1-2-5-12(10)16-13/h1-2,4-5,8,17H,3,6-7,9H2.
What are the key properties of [1-(2-bromoquinolin-3-yl)cyclobutyl]methanol?
[1-(2-bromoquinolin-3-yl)cyclobutyl]methanol has a molecular weight of 292.18 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromoquinolin-3-yl)cyclobutyl]methanol is sourced from PubChem (CID 116985380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).