1-(7-chloro-2-methylquinolin-4-yl)ethanol

C12H12ClNO — CID 82576033

IUPAC1-(7-chloro-2-methylquinolin-4-yl)ethanol
SMILESCc1cc(C(C)O)c2ccc(Cl)cc2n1
InChIInChI=1S/C12H12ClNO/c1-7-5-11(8(2)15)10-4-3-9(13)6-12(10)14-7/h3-6,8,15H,1-2H3
InChIKeyNNPYSIYBTHQMPP-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.25
Rot. Bonds1

About 1-(7-chloro-2-methylquinolin-4-yl)ethanol

1-(7-chloro-2-methylquinolin-4-yl)ethanol (PubChem CID 82576033) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 1-(7-chloro-2-methylquinolin-4-yl)ethanol.

Molecular Properties

Compound Name1-(7-chloro-2-methylquinolin-4-yl)ethanol
PubChem CID82576033
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name1-(7-chloro-2-methylquinolin-4-yl)ethanol
SMILESCc1cc(C(C)O)c2ccc(Cl)cc2n1
InChIInChI=1S/C12H12ClNO/c1-7-5-11(8(2)15)10-4-3-9(13)6-12(10)14-7/h3-6,8,15H,1-2H3
InChIKeyNNPYSIYBTHQMPP-UHFFFAOYSA-N
XLogP3.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2-methylquinolin-4-yl)ethanol?
The IUPAC name of 1-(7-chloro-2-methylquinolin-4-yl)ethanol (CID 82576033) is 1-(7-chloro-2-methylquinolin-4-yl)ethanol.
What is the SMILES notation for 1-(7-chloro-2-methylquinolin-4-yl)ethanol?
The canonical SMILES for 1-(7-chloro-2-methylquinolin-4-yl)ethanol is Cc1cc(C(C)O)c2ccc(Cl)cc2n1.
What is the InChIKey of 1-(7-chloro-2-methylquinolin-4-yl)ethanol?
The InChIKey is NNPYSIYBTHQMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-7-5-11(8(2)15)10-4-3-9(13)6-12(10)14-7/h3-6,8,15H,1-2H3.
What are the key properties of 1-(7-chloro-2-methylquinolin-4-yl)ethanol?
1-(7-chloro-2-methylquinolin-4-yl)ethanol has a molecular weight of 221.69 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2-methylquinolin-4-yl)ethanol is sourced from PubChem (CID 82576033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).