3-bromo-1-quinolin-2-ylprop-1-en-2-ol

C12H10BrNO — CID 168664823

IUPAC3-bromo-1-quinolin-2-ylprop-1-en-2-ol
SMILESOC(=Cc1ccc2ccccc2n1)CBr
InChIInChI=1S/C12H10BrNO/c13-8-11(15)7-10-6-5-9-3-1-2-4-12(9)14-10/h1-7,15H,8H2
InChIKeyTVYPCCTUUGBFFO-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.53
Rot. Bonds2

About 3-bromo-1-quinolin-2-ylprop-1-en-2-ol

3-bromo-1-quinolin-2-ylprop-1-en-2-ol (PubChem CID 168664823) has the molecular formula C12H10BrNO and a molecular weight of 264.12 g/mol. Its IUPAC name is 3-bromo-1-quinolin-2-ylprop-1-en-2-ol.

Molecular Properties

Compound Name3-bromo-1-quinolin-2-ylprop-1-en-2-ol
PubChem CID168664823
Molecular FormulaC12H10BrNO
Molecular Weight264.12 g/mol
Exact Mass262.99
IUPAC Name3-bromo-1-quinolin-2-ylprop-1-en-2-ol
SMILESOC(=Cc1ccc2ccccc2n1)CBr
InChIInChI=1S/C12H10BrNO/c13-8-11(15)7-10-6-5-9-3-1-2-4-12(9)14-10/h1-7,15H,8H2
InChIKeyTVYPCCTUUGBFFO-UHFFFAOYSA-N
XLogP3.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-bromo-1-quinolin-2-ylprop-1-en-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

Related Compounds

2-(2-chloroprop-1-enyl)quinoline
CID 173335992
ethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate
CID 59134931
(E)-2-phenyl-3-quinolin-2-ylprop-2-enenitrile
CID 170857761
quinoline-2-carbaldehyde;hydrate
CID 158547927
(Z)-1-quinolin-2-yl-N-[(Z)-quinolin-2-ylmethylideneamino]methanimine
CID 6299697
1-quinolin-2-yl-N-[2-(quinolin-2-ylmethylideneamino)ethyl]methanimine
CID 68976214
N-phenyl-1-quinolin-2-ylmethanimine
CID 13120185
(E,4E)-3-methyl-4-(quinolin-2-ylmethylidene)pent-2-enedioate
CID 25421122
N-propyl-2-(quinolin-2-ylmethylidene)butan-1-amine
CID 79329672
2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
CID 75366284
(E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine
CID 103093597
2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline
CID 91436844

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-quinolin-2-ylprop-1-en-2-ol?
The IUPAC name of 3-bromo-1-quinolin-2-ylprop-1-en-2-ol (CID 168664823) is 3-bromo-1-quinolin-2-ylprop-1-en-2-ol.
What is the SMILES notation for 3-bromo-1-quinolin-2-ylprop-1-en-2-ol?
The canonical SMILES for 3-bromo-1-quinolin-2-ylprop-1-en-2-ol is OC(=Cc1ccc2ccccc2n1)CBr.
What is the InChIKey of 3-bromo-1-quinolin-2-ylprop-1-en-2-ol?
The InChIKey is TVYPCCTUUGBFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO/c13-8-11(15)7-10-6-5-9-3-1-2-4-12(9)14-10/h1-7,15H,8H2.
What are the key properties of 3-bromo-1-quinolin-2-ylprop-1-en-2-ol?
3-bromo-1-quinolin-2-ylprop-1-en-2-ol has a molecular weight of 264.12 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-quinolin-2-ylprop-1-en-2-ol is sourced from PubChem (CID 168664823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).