2-benzylidene-4-quinolin-2-ylbutanal

C20H17NO — CID 54405790

IUPAC2-benzylidene-4-quinolin-2-ylbutanal
SMILESO=CC(=Cc1ccccc1)CCc1ccc2ccccc2n1
InChIInChI=1S/C20H17NO/c22-15-17(14-16-6-2-1-3-7-16)10-12-19-13-11-18-8-4-5-9-20(18)21-19/h1-9,11,13-15H,10,12H2
InChIKeyTVVIIYIKAYTAQK-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.45
Rot. Bonds5

About 2-benzylidene-4-quinolin-2-ylbutanal

2-benzylidene-4-quinolin-2-ylbutanal (PubChem CID 54405790) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-benzylidene-4-quinolin-2-ylbutanal.

Molecular Properties

Compound Name2-benzylidene-4-quinolin-2-ylbutanal
PubChem CID54405790
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name2-benzylidene-4-quinolin-2-ylbutanal
SMILESO=CC(=Cc1ccccc1)CCc1ccc2ccccc2n1
InChIInChI=1S/C20H17NO/c22-15-17(14-16-6-2-1-3-7-16)10-12-19-13-11-18-8-4-5-9-20(18)21-19/h1-9,11,13-15H,10,12H2
InChIKeyTVVIIYIKAYTAQK-UHFFFAOYSA-N
XLogP4.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.45
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'}

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Related Compounds

N,N-dimethyl-3-quinolin-2-ylpropanamide
CID 110464890
(E)-3-(4-chlorophenyl)-2-[4-(2-quinolin-2-ylethyl)phenyl]prop-2-enoic acid
CID 67124589
13-quinolin-2-yltridecanal
CID 87258856
1-methoxy-4-quinolin-2-ylbutan-2-one
CID 79417247
2-(3-phenylprop-2-enyl)quinoline
CID 91377600
2-(10-quinolin-2-yldecyl)quinoline;hydrate
CID 144702573
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
3-quinolin-2-ylpropan-1-ol;dihydrochloride
CID 175501927
9-quinolin-2-ylnonan-1-ol
CID 19898716
1-quinolin-2-ylpentan-2-one
CID 28935199
2-(2-quinolin-2-ylethyl)phenol;hydrochloride
CID 90025480
CID 89210421
CID 89210421

Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-4-quinolin-2-ylbutanal?
The IUPAC name of 2-benzylidene-4-quinolin-2-ylbutanal (CID 54405790) is 2-benzylidene-4-quinolin-2-ylbutanal.
What is the SMILES notation for 2-benzylidene-4-quinolin-2-ylbutanal?
The canonical SMILES for 2-benzylidene-4-quinolin-2-ylbutanal is O=CC(=Cc1ccccc1)CCc1ccc2ccccc2n1.
What is the InChIKey of 2-benzylidene-4-quinolin-2-ylbutanal?
The InChIKey is TVVIIYIKAYTAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO/c22-15-17(14-16-6-2-1-3-7-16)10-12-19-13-11-18-8-4-5-9-20(18)21-19/h1-9,11,13-15H,10,12H2.
What are the key properties of 2-benzylidene-4-quinolin-2-ylbutanal?
2-benzylidene-4-quinolin-2-ylbutanal has a molecular weight of 287.36 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-4-quinolin-2-ylbutanal is sourced from PubChem (CID 54405790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).