2-quinolin-4-ylpropanal

C12H11NO — CID 54154941

IUPAC2-quinolin-4-ylpropanal
SMILESCC(C=O)c1ccnc2ccccc12
InChIInChI=1S/C12H11NO/c1-9(8-14)10-6-7-13-12-5-3-2-4-11(10)12/h2-9H,1H3
InChIKeyOKJFQNPFBIKFPM-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.54
Rot. Bonds2

About 2-quinolin-4-ylpropanal

2-quinolin-4-ylpropanal (PubChem CID 54154941) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-quinolin-4-ylpropanal.

Molecular Properties

Compound Name2-quinolin-4-ylpropanal
PubChem CID54154941
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name2-quinolin-4-ylpropanal
SMILESCC(C=O)c1ccnc2ccccc12
InChIInChI=1S/C12H11NO/c1-9(8-14)10-6-7-13-12-5-3-2-4-11(10)12/h2-9H,1H3
InChIKeyOKJFQNPFBIKFPM-UHFFFAOYSA-N
XLogP2.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.54
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

CID 160608048
CID 160608048
1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049
2-quinolin-4-ylpropanoic acid
CID 127018626
N-[(1S)-1-quinolin-4-ylethyl]acetamide
CID 101472715
3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal
CID 19824915
(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride
CID 171216982
(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171236618
3-quinolin-4-ylpentan-2-one
CID 63196425
3-methyl-1-quinolin-4-ylpentan-1-ol
CID 65149770
3-methyl-2-(quinolin-4-ylmethylidene)butanal
CID 79335656
1-quinolin-4-ylpropane-1-sulfonic acid
CID 90989010
methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride
CID 171217015

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-4-ylpropanal?
The IUPAC name of 2-quinolin-4-ylpropanal (CID 54154941) is 2-quinolin-4-ylpropanal.
What is the SMILES notation for 2-quinolin-4-ylpropanal?
The canonical SMILES for 2-quinolin-4-ylpropanal is CC(C=O)c1ccnc2ccccc12.
What is the InChIKey of 2-quinolin-4-ylpropanal?
The InChIKey is OKJFQNPFBIKFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-9(8-14)10-6-7-13-12-5-3-2-4-11(10)12/h2-9H,1H3.
What are the key properties of 2-quinolin-4-ylpropanal?
2-quinolin-4-ylpropanal has a molecular weight of 185.23 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-4-ylpropanal is sourced from PubChem (CID 54154941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).