1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol

C15H11Br2NOS — CID 115959968

IUPAC1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol
SMILESOC(Cc1sccc1Br)c1ccc(Br)c2cccnc12
InChIInChI=1S/C15H11Br2NOS/c16-11-4-3-10(15-9(11)2-1-6-18-15)13(19)8-14-12(17)5-7-20-14/h1-7,13,19H,8H2
InChIKeyCOLJTBAGZZYRIU-UHFFFAOYSA-N
MW413.13 g/mol
LogP5.10
Rot. Bonds3

About 1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol

1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol (PubChem CID 115959968) has the molecular formula C15H11Br2NOS and a molecular weight of 413.13 g/mol. Its IUPAC name is 1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol
PubChem CID115959968
Molecular FormulaC15H11Br2NOS
Molecular Weight413.13 g/mol
Exact Mass410.89
IUPAC Name1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol
SMILESOC(Cc1sccc1Br)c1ccc(Br)c2cccnc12
InChIInChI=1S/C15H11Br2NOS/c16-11-4-3-10(15-9(11)2-1-6-18-15)13(19)8-14-12(17)5-7-20-14/h1-7,13,19H,8H2
InChIKeyCOLJTBAGZZYRIU-UHFFFAOYSA-N
XLogP5.10
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.13
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol with MolForge

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Related Compounds

1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol
CID 112618176
1-(5-bromoquinolin-8-yl)-2-propoxyethanol
CID 112618151
(5-bromoquinolin-8-yl)-cyclopentylmethanol
CID 112618124
2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine
CID 105139399
2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol
CID 79235146
methyl 4-(5-bromoquinolin-8-yl)-4-hydroxy-2-methylbutanoate
CID 115960217
2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol
CID 65148432
N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
CID 115959884
2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105090888
(3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide
CID 103940793
2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanol
CID 62606491
4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol
CID 112618657

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol?
The IUPAC name of 1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol (CID 115959968) is 1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol.
What is the SMILES notation for 1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol?
The canonical SMILES for 1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol is OC(Cc1sccc1Br)c1ccc(Br)c2cccnc12.
What is the InChIKey of 1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol?
The InChIKey is COLJTBAGZZYRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NOS/c16-11-4-3-10(15-9(11)2-1-6-18-15)13(19)8-14-12(17)5-7-20-14/h1-7,13,19H,8H2.
What are the key properties of 1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol?
1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol has a molecular weight of 413.13 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol is sourced from PubChem (CID 115959968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).