3-(2-bromoquinolin-4-yl)prop-2-yn-1-ol

C12H8BrNO — CID 141349595

IUPAC3-(2-bromoquinolin-4-yl)prop-2-yn-1-ol
SMILESOCC#Cc1cc(Br)nc2ccccc12
InChIInChI=1S/C12H8BrNO/c13-12-8-9(4-3-7-15)10-5-1-2-6-11(10)14-12/h1-2,5-6,8,15H,7H2
InChIKeyAZOQRMHZIXBOSQ-UHFFFAOYSA-N
MW262.11 g/mol
LogP2.34
Rot. Bonds

About 3-(2-bromoquinolin-4-yl)prop-2-yn-1-ol

3-(2-bromoquinolin-4-yl)prop-2-yn-1-ol (PubChem CID 141349595) has the molecular formula C12H8BrNO and a molecular weight of 262.11 g/mol. Its IUPAC name is 3-(2-bromoquinolin-4-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(2-bromoquinolin-4-yl)prop-2-yn-1-ol
PubChem CID141349595
Molecular FormulaC12H8BrNO
Molecular Weight262.11 g/mol
Exact Mass260.98
IUPAC Name3-(2-bromoquinolin-4-yl)prop-2-yn-1-ol
SMILESOCC#Cc1cc(Br)nc2ccccc12
InChIInChI=1S/C12H8BrNO/c13-12-8-9(4-3-7-15)10-5-1-2-6-11(10)14-12/h1-2,5-6,8,15H,7H2
InChIKeyAZOQRMHZIXBOSQ-UHFFFAOYSA-N
XLogP2.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromoquinoline
CID 824608
ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol
CID 142610234
2-bromo-4-nitrosoquinoline
CID 88919783
methyl 2-(2-bromoquinolin-4-yl)acetate
CID 90316081
2-bromo-4-ethoxyquinoline
CID 824618
2-bromo-4-propan-2-ylquinoline
CID 146082408
3-(2-methylphenyl)prop-2-yn-1-ol
CID 45156701
4-[2-(2-aminoquinolin-4-yl)ethynyl]benzamide
CID 134276816
2-(bromomethyl)quinoline-4-carbonitrile
CID 45123456
3-[3-bromo-9-(methoxymethyl)carbazol-2-yl]prop-2-yn-1-ol
CID 126970765
1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol
CID 169485554
3-(2-bromo-4-methylphenyl)prop-2-yn-1-ol
CID 169485829

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoquinolin-4-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(2-bromoquinolin-4-yl)prop-2-yn-1-ol (CID 141349595) is 3-(2-bromoquinolin-4-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(2-bromoquinolin-4-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(2-bromoquinolin-4-yl)prop-2-yn-1-ol is OCC#Cc1cc(Br)nc2ccccc12.
What is the InChIKey of 3-(2-bromoquinolin-4-yl)prop-2-yn-1-ol?
The InChIKey is AZOQRMHZIXBOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO/c13-12-8-9(4-3-7-15)10-5-1-2-6-11(10)14-12/h1-2,5-6,8,15H,7H2.
What are the key properties of 3-(2-bromoquinolin-4-yl)prop-2-yn-1-ol?
3-(2-bromoquinolin-4-yl)prop-2-yn-1-ol has a molecular weight of 262.11 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoquinolin-4-yl)prop-2-yn-1-ol is sourced from PubChem (CID 141349595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).