(E)-3-(6-chloroquinolin-2-yl)prop-2-en-1-ol

C12H10ClNO — CID 73351038

IUPAC(E)-3-(6-chloroquinolin-2-yl)prop-2-en-1-ol
SMILESOC/C=C/c1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C12H10ClNO/c13-10-4-6-12-9(8-10)3-5-11(14-12)2-1-7-15/h1-6,8,15H,7H2/b2-1+
InChIKeyFUWSRMGKHFIBMZ-OWOJBTEDSA-N
MW219.67 g/mol
LogP2.89
Rot. Bonds2

About (E)-3-(6-chloroquinolin-2-yl)prop-2-en-1-ol

(E)-3-(6-chloroquinolin-2-yl)prop-2-en-1-ol (PubChem CID 73351038) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is (E)-3-(6-chloroquinolin-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(6-chloroquinolin-2-yl)prop-2-en-1-ol
PubChem CID73351038
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name(E)-3-(6-chloroquinolin-2-yl)prop-2-en-1-ol
SMILESOC/C=C/c1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C12H10ClNO/c13-10-4-6-12-9(8-10)3-5-11(14-12)2-1-7-15/h1-6,8,15H,7H2/b2-1+
InChIKeyFUWSRMGKHFIBMZ-OWOJBTEDSA-N
XLogP2.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloroquinolin-2-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(6-chloroquinolin-2-yl)prop-2-en-1-ol (CID 73351038) is (E)-3-(6-chloroquinolin-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(6-chloroquinolin-2-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(6-chloroquinolin-2-yl)prop-2-en-1-ol is OC/C=C/c1ccc2cc(Cl)ccc2n1.
What is the InChIKey of (E)-3-(6-chloroquinolin-2-yl)prop-2-en-1-ol?
The InChIKey is FUWSRMGKHFIBMZ-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H10ClNO/c13-10-4-6-12-9(8-10)3-5-11(14-12)2-1-7-15/h1-6,8,15H,7H2/b2-1+.
What are the key properties of (E)-3-(6-chloroquinolin-2-yl)prop-2-en-1-ol?
(E)-3-(6-chloroquinolin-2-yl)prop-2-en-1-ol has a molecular weight of 219.67 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-chloroquinolin-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 73351038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).