(E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol

C14H14ClNO — CID 103091147

IUPAC(E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol
SMILESC/C(=C\c1ccc(Cl)c2cccnc12)C(C)O
InChIInChI=1S/C14H14ClNO/c1-9(10(2)17)8-11-5-6-13(15)12-4-3-7-16-14(11)12/h3-8,10,17H,1-2H3/b9-8+
InChIKeyYJVDHRNYHHMMPW-CMDGGOBGSA-N
MW247.72 g/mol
LogP3.67
Rot. Bonds2

About (E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol

(E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol (PubChem CID 103091147) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is (E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol
PubChem CID103091147
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name(E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol
SMILESC/C(=C\c1ccc(Cl)c2cccnc12)C(C)O
InChIInChI=1S/C14H14ClNO/c1-9(10(2)17)8-11-5-6-13(15)12-4-3-7-16-14(11)12/h3-8,10,17H,1-2H3/b9-8+
InChIKeyYJVDHRNYHHMMPW-CMDGGOBGSA-N
XLogP3.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine
CID 115960646
(2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol
CID 115960046
CID 172791001
CID 172791001
(E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093776
1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol
CID 116785483
1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol
CID 112618208
CID 6367063
CID 6367063
calcium;5-chloroquinolin-8-ol;hydride
CID 174353815
potassium;5-chloroquinolin-8-ol;hydride
CID 174478922
aluminum tris(5-chloroquinolin-8-olate)
CID 67131824
methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate
CID 112618441
(2E)-2-[(5-bromoquinolin-8-yl)methylidene]-N,3-dimethylbutan-1-amine
CID 112618749

Frequently Asked Questions

What is the IUPAC name of (E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol?
The IUPAC name of (E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol (CID 103091147) is (E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol.
What is the SMILES notation for (E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol?
The canonical SMILES for (E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol is C/C(=C\c1ccc(Cl)c2cccnc12)C(C)O.
What is the InChIKey of (E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol?
The InChIKey is YJVDHRNYHHMMPW-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-9(10(2)17)8-11-5-6-13(15)12-4-3-7-16-14(11)12/h3-8,10,17H,1-2H3/b9-8+.
What are the key properties of (E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol?
(E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol has a molecular weight of 247.72 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol is sourced from PubChem (CID 103091147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).