2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol

C16H18BrNOS — CID 65151077

IUPAC2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol
SMILESCN1CCCc2cc(C(O)Cc3ccc(Br)s3)ccc21
InChIInChI=1S/C16H18BrNOS/c1-18-8-2-3-11-9-12(4-6-14(11)18)15(19)10-13-5-7-16(17)20-13/h4-7,9,15,19H,2-3,8,10H2,1H3
InChIKeyOCKWPMNCCGRRPF-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.17
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol

2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol (PubChem CID 65151077) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol
PubChem CID65151077
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol
SMILESCN1CCCc2cc(C(O)Cc3ccc(Br)s3)ccc21
InChIInChI=1S/C16H18BrNOS/c1-18-8-2-3-11-9-12(4-6-14(11)18)15(19)10-13-5-7-16(17)20-13/h4-7,9,15,19H,2-3,8,10H2,1H3
InChIKeyOCKWPMNCCGRRPF-UHFFFAOYSA-N
XLogP4.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol 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

1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641845
2-(3-fluorophenyl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol
CID 63896170
2-(2-bromo-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
CID 65149599
(4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 79595705
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol
CID 82074067
1-(3-bromophenyl)-2-(5-bromothiophen-2-yl)ethanol
CID 62606111
(2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 63893497
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103005986
1-methyl-2-[(1R)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]hydrazine
CID 59760276
(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol
CID 103130128
2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
CID 63899321
3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138292

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol (CID 65151077) is 2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol is CN1CCCc2cc(C(O)Cc3ccc(Br)s3)ccc21.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol?
The InChIKey is OCKWPMNCCGRRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-18-8-2-3-11-9-12(4-6-14(11)18)15(19)10-13-5-7-16(17)20-13/h4-7,9,15,19H,2-3,8,10H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol?
2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol has a molecular weight of 352.30 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol is sourced from PubChem (CID 65151077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).