(E)-3-quinolin-4-ylprop-2-enal

C12H9NO — CID 10419846

IUPAC(E)-3-quinolin-4-ylprop-2-enal
SMILESO=C/C=C/c1ccnc2ccccc12
InChIInChI=1S/C12H9NO/c14-9-3-4-10-7-8-13-12-6-2-1-5-11(10)12/h1-9H/b4-3+
InChIKeyLXRUOSHDDMLKFF-ONEGZZNKSA-N
MW183.21 g/mol
LogP2.45
Rot. Bonds2

About (E)-3-quinolin-4-ylprop-2-enal

(E)-3-quinolin-4-ylprop-2-enal (PubChem CID 10419846) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is (E)-3-quinolin-4-ylprop-2-enal.

Molecular Properties

Compound Name(E)-3-quinolin-4-ylprop-2-enal
PubChem CID10419846
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name(E)-3-quinolin-4-ylprop-2-enal
SMILESO=C/C=C/c1ccnc2ccccc12
InChIInChI=1S/C12H9NO/c14-9-3-4-10-7-8-13-12-6-2-1-5-11(10)12/h1-9H/b4-3+
InChIKeyLXRUOSHDDMLKFF-ONEGZZNKSA-N
XLogP2.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-quinolin-4-ylprop-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(Z)-prop-1-enyl]quinoline
CID 89064507
(E)-3-quinolin-4-ylprop-2-en-1-ol
CID 22631016
4-(2-quinolin-4-ylethenyl)phenol
CID 619025
4-[(1E,3E)-4-cyclohexylbuta-1,3-dienyl]quinoline
CID 138980430
N,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline
CID 53315181
4-quinolin-4-ylbut-3-enamide
CID 170798108
N-(2-quinolin-4-ylethenyl)aniline
CID 154091983
4-(3-methylbuta-1,3-dienyl)quinoline
CID 123171644
4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline
CID 58870156
4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline
CID 5478230
(2E,4E)-5-quinolin-4-yl-1-[4-[(2E,4E)-5-quinolin-4-ylpenta-2,4-dienoyl]-1,4-diazepan-1-yl]penta-2,4-dien-1-one
CID 22609544
N-methyl-1-quinolin-4-ylmethanimine
CID 119086177

Frequently Asked Questions

What is the IUPAC name of (E)-3-quinolin-4-ylprop-2-enal?
The IUPAC name of (E)-3-quinolin-4-ylprop-2-enal (CID 10419846) is (E)-3-quinolin-4-ylprop-2-enal.
What is the SMILES notation for (E)-3-quinolin-4-ylprop-2-enal?
The canonical SMILES for (E)-3-quinolin-4-ylprop-2-enal is O=C/C=C/c1ccnc2ccccc12.
What is the InChIKey of (E)-3-quinolin-4-ylprop-2-enal?
The InChIKey is LXRUOSHDDMLKFF-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H9NO/c14-9-3-4-10-7-8-13-12-6-2-1-5-11(10)12/h1-9H/b4-3+.
What are the key properties of (E)-3-quinolin-4-ylprop-2-enal?
(E)-3-quinolin-4-ylprop-2-enal has a molecular weight of 183.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-quinolin-4-ylprop-2-enal is sourced from PubChem (CID 10419846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).