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

C15H16BrNOS — CID 79595705

IUPAC(4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
SMILESCN1CCCc2cc(C(O)c3cscc3Br)ccc21
InChIInChI=1S/C15H16BrNOS/c1-17-6-2-3-10-7-11(4-5-14(10)17)15(18)12-8-19-9-13(12)16/h4-5,7-9,15,18H,2-3,6H2,1H3
InChIKeyFBXLGLBXBZCFJA-UHFFFAOYSA-N
MW338.27 g/mol
LogP3.97
Rot. Bonds2

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

(4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol (PubChem CID 79595705) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
PubChem CID79595705
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name(4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
SMILESCN1CCCc2cc(C(O)c3cscc3Br)ccc21
InChIInChI=1S/C15H16BrNOS/c1-17-6-2-3-10-7-11(4-5-14(10)17)15(18)12-8-19-9-13(12)16/h4-5,7-9,15,18H,2-3,6H2,1H3
InChIKeyFBXLGLBXBZCFJA-UHFFFAOYSA-N
XLogP3.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol
CID 103130128
2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol
CID 65151077
(1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102829226
(1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 63976074
(2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900549
(2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 63893497
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol
CID 79595160
2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 63898475
1-methyl-2-[(1R)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]hydrazine
CID 59760276
1,3-benzodioxol-5-yl-(4-bromothiophen-3-yl)methanol
CID 79595048
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641845
furan-3-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63948147

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol?
The IUPAC name of (4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol (CID 79595705) is (4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol is CN1CCCc2cc(C(O)c3cscc3Br)ccc21.
What is the InChIKey of (4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol?
The InChIKey is FBXLGLBXBZCFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-17-6-2-3-10-7-11(4-5-14(10)17)15(18)12-8-19-9-13(12)16/h4-5,7-9,15,18H,2-3,6H2,1H3.
What are the key properties of (4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol?
(4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol has a molecular weight of 338.27 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol is sourced from PubChem (CID 79595705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).