4-(5-chloro-8-hydroxyquinolin-7-yl)but-3-enal

C13H10ClNO2 — CID 170482968

IUPAC4-(5-chloro-8-hydroxyquinolin-7-yl)but-3-enal
SMILESO=CCC=Cc1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C13H10ClNO2/c14-11-8-9(4-1-2-7-16)13(17)12-10(11)5-3-6-15-12/h1,3-8,17H,2H2
InChIKeyZTHNZYLXAKUPKV-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.20
Rot. Bonds3

About 4-(5-chloro-8-hydroxyquinolin-7-yl)but-3-enal

4-(5-chloro-8-hydroxyquinolin-7-yl)but-3-enal (PubChem CID 170482968) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 4-(5-chloro-8-hydroxyquinolin-7-yl)but-3-enal.

Molecular Properties

Compound Name4-(5-chloro-8-hydroxyquinolin-7-yl)but-3-enal
PubChem CID170482968
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name4-(5-chloro-8-hydroxyquinolin-7-yl)but-3-enal
SMILESO=CCC=Cc1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C13H10ClNO2/c14-11-8-9(4-1-2-7-16)13(17)12-10(11)5-3-6-15-12/h1,3-8,17H,2H2
InChIKeyZTHNZYLXAKUPKV-UHFFFAOYSA-N
XLogP3.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-chloro-7-(3-sulfanylprop-1-enyl)quinolin-8-ol
CID 169456288
3-(5-chloro-8-hydroxyquinolin-7-yl)prop-2-enenitrile
CID 169484431
7-chloro-8-hydroxyquinoline-5-carbaldehyde
CID 102399147
5,7-dichloroquinolin-8-ol;nickel
CID 175096460
5-chloro-7-(chloromethyl)quinolin-8-ol
CID 4702114
5-chloro-8-hydroxyquinoline-7-carboxylic acid
CID 14534767
4-quinolin-8-ylbut-3-enal
CID 170482047
zinc 5-chloro-7-(18F)fluoroquinolin-8-ol
CID 10378005
bis(5-chloro-7-iodoquinolin-8-ol);indium-111(3+)
CID 25009411
bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)
CID 25009413
5-chloro-7-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol
CID 137271278
5-chloro-7-[3-sulfanyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]quinolin-8-ol
CID 170804072

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-8-hydroxyquinolin-7-yl)but-3-enal?
The IUPAC name of 4-(5-chloro-8-hydroxyquinolin-7-yl)but-3-enal (CID 170482968) is 4-(5-chloro-8-hydroxyquinolin-7-yl)but-3-enal.
What is the SMILES notation for 4-(5-chloro-8-hydroxyquinolin-7-yl)but-3-enal?
The canonical SMILES for 4-(5-chloro-8-hydroxyquinolin-7-yl)but-3-enal is O=CCC=Cc1cc(Cl)c2cccnc2c1O.
What is the InChIKey of 4-(5-chloro-8-hydroxyquinolin-7-yl)but-3-enal?
The InChIKey is ZTHNZYLXAKUPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c14-11-8-9(4-1-2-7-16)13(17)12-10(11)5-3-6-15-12/h1,3-8,17H,2H2.
What are the key properties of 4-(5-chloro-8-hydroxyquinolin-7-yl)but-3-enal?
4-(5-chloro-8-hydroxyquinolin-7-yl)but-3-enal has a molecular weight of 247.68 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-8-hydroxyquinolin-7-yl)but-3-enal is sourced from PubChem (CID 170482968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).