1-(7,8-dichloro-2-methylquinolin-4-yl)ethanol

C12H11Cl2NO — CID 82576061

IUPAC1-(7,8-dichloro-2-methylquinolin-4-yl)ethanol
SMILESCc1cc(C(C)O)c2ccc(Cl)c(Cl)c2n1
InChIInChI=1S/C12H11Cl2NO/c1-6-5-9(7(2)16)8-3-4-10(13)11(14)12(8)15-6/h3-5,7,16H,1-2H3
InChIKeyISSQONWHLRIIMD-UHFFFAOYSA-N
MW256.13 g/mol
LogP3.90
Rot. Bonds1

About 1-(7,8-dichloro-2-methylquinolin-4-yl)ethanol

1-(7,8-dichloro-2-methylquinolin-4-yl)ethanol (PubChem CID 82576061) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is 1-(7,8-dichloro-2-methylquinolin-4-yl)ethanol.

Molecular Properties

Compound Name1-(7,8-dichloro-2-methylquinolin-4-yl)ethanol
PubChem CID82576061
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name1-(7,8-dichloro-2-methylquinolin-4-yl)ethanol
SMILESCc1cc(C(C)O)c2ccc(Cl)c(Cl)c2n1
InChIInChI=1S/C12H11Cl2NO/c1-6-5-9(7(2)16)8-3-4-10(13)11(14)12(8)15-6/h3-5,7,16H,1-2H3
InChIKeyISSQONWHLRIIMD-UHFFFAOYSA-N
XLogP3.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-chloro-2-methylquinolin-4-yl)ethanol
CID 82576032
4-bromo-7,8-dichloro-2-methylquinoline
CID 39346159
1-(7-chloro-2-methylquinolin-4-yl)ethanol
CID 82576033
7,8-dichloro-2-methylquinoline-4-carbaldehyde
CID 82449304
2-(7,8-dichloro-2-methylquinolin-4-yl)acetamide
CID 82575421
N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449312
2-(7,8-dichloro-2-propan-2-ylquinolin-4-yl)propan-2-ol
CID 82449344
(7-chloro-2,8-dimethylquinolin-4-yl)boronic acid
CID 75485966
(7,8-dichloro-2-propan-2-ylquinolin-4-yl)methanol
CID 82449331
[8-fluoro-4-(1-hydroxyethyl)-2-methylquinolin-6-yl]boronic acid
CID 174021497
1-(2-chloro-5-methylphenyl)ethanol;ethane
CID 143592290
7-chloro-2,4,8-trimethylquinoline;ethane
CID 170974379

Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dichloro-2-methylquinolin-4-yl)ethanol?
The IUPAC name of 1-(7,8-dichloro-2-methylquinolin-4-yl)ethanol (CID 82576061) is 1-(7,8-dichloro-2-methylquinolin-4-yl)ethanol.
What is the SMILES notation for 1-(7,8-dichloro-2-methylquinolin-4-yl)ethanol?
The canonical SMILES for 1-(7,8-dichloro-2-methylquinolin-4-yl)ethanol is Cc1cc(C(C)O)c2ccc(Cl)c(Cl)c2n1.
What is the InChIKey of 1-(7,8-dichloro-2-methylquinolin-4-yl)ethanol?
The InChIKey is ISSQONWHLRIIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c1-6-5-9(7(2)16)8-3-4-10(13)11(14)12(8)15-6/h3-5,7,16H,1-2H3.
What are the key properties of 1-(7,8-dichloro-2-methylquinolin-4-yl)ethanol?
1-(7,8-dichloro-2-methylquinolin-4-yl)ethanol has a molecular weight of 256.13 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dichloro-2-methylquinolin-4-yl)ethanol is sourced from PubChem (CID 82576061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).