4-quinolin-8-ylbut-3-enal

C13H11NO — CID 170482047

IUPAC4-quinolin-8-ylbut-3-enal
SMILESO=CCC=Cc1cccc2cccnc12
InChIInChI=1S/C13H11NO/c15-10-2-1-5-11-6-3-7-12-8-4-9-14-13(11)12/h1,3-10H,2H2
InChIKeyOUICDGWAHDUUDD-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.84
Rot. Bonds3

About 4-quinolin-8-ylbut-3-enal

4-quinolin-8-ylbut-3-enal (PubChem CID 170482047) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-quinolin-8-ylbut-3-enal.

Molecular Properties

Compound Name4-quinolin-8-ylbut-3-enal
PubChem CID170482047
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name4-quinolin-8-ylbut-3-enal
SMILESO=CCC=Cc1cccc2cccnc12
InChIInChI=1S/C13H11NO/c15-10-2-1-5-11-6-3-7-12-8-4-9-14-13(11)12/h1,3-10H,2H2
InChIKeyOUICDGWAHDUUDD-UHFFFAOYSA-N
XLogP2.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-quinolin-8-ylprop-2-en-1-ol
CID 57237770
3-quinolin-8-ylprop-2-enal
CID 73158990
(E)-4-quinolin-8-ylbut-3-en-1-amine
CID 63968021
2-(4-oxobut-1-enyl)pyridine-3-carbaldehyde
CID 170481627
N-(4-quinolin-8-ylbut-3-enyl)acetamide
CID 170488863
8-[2-[6-[2-[6-(2-quinolin-8-ylethenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
CID 72565631
8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
CID 59801174
4-(5-chloro-8-hydroxyquinolin-7-yl)but-3-enal
CID 170482968
N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide
CID 111445377
4-(1H-indol-7-yl)but-3-enal
CID 170482005
benzyl N-(4-quinolin-8-ylbut-3-enyl)carbamate
CID 170494232
cyanomethyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16607642

Frequently Asked Questions

What is the IUPAC name of 4-quinolin-8-ylbut-3-enal?
The IUPAC name of 4-quinolin-8-ylbut-3-enal (CID 170482047) is 4-quinolin-8-ylbut-3-enal.
What is the SMILES notation for 4-quinolin-8-ylbut-3-enal?
The canonical SMILES for 4-quinolin-8-ylbut-3-enal is O=CCC=Cc1cccc2cccnc12.
What is the InChIKey of 4-quinolin-8-ylbut-3-enal?
The InChIKey is OUICDGWAHDUUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c15-10-2-1-5-11-6-3-7-12-8-4-9-14-13(11)12/h1,3-10H,2H2.
What are the key properties of 4-quinolin-8-ylbut-3-enal?
4-quinolin-8-ylbut-3-enal has a molecular weight of 197.24 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-8-ylbut-3-enal is sourced from PubChem (CID 170482047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).