3-methyl-2-(quinolin-8-ylmethylidene)butanal

C15H15NO — CID 79335081

IUPAC3-methyl-2-(quinolin-8-ylmethylidene)butanal
SMILESCC(C)C(C=O)=Cc1cccc2cccnc12
InChIInChI=1S/C15H15NO/c1-11(2)14(10-17)9-13-6-3-5-12-7-4-8-16-15(12)13/h3-11H,1-2H3
InChIKeyAEMVRHZRXIZHJY-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.47
Rot. Bonds3

About 3-methyl-2-(quinolin-8-ylmethylidene)butanal

3-methyl-2-(quinolin-8-ylmethylidene)butanal (PubChem CID 79335081) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-methyl-2-(quinolin-8-ylmethylidene)butanal.

Molecular Properties

Compound Name3-methyl-2-(quinolin-8-ylmethylidene)butanal
PubChem CID79335081
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3-methyl-2-(quinolin-8-ylmethylidene)butanal
SMILESCC(C)C(C=O)=Cc1cccc2cccnc12
InChIInChI=1S/C15H15NO/c1-11(2)14(10-17)9-13-6-3-5-12-7-4-8-16-15(12)13/h3-11H,1-2H3
InChIKeyAEMVRHZRXIZHJY-UHFFFAOYSA-N
XLogP3.47
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.47
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

3-methyl-2-(quinolin-4-ylmethylidene)butanal
CID 79335656
N-ethyl-2-methyl-3-quinolin-8-ylprop-2-en-1-amine
CID 79340793
3-quinolin-8-ylprop-2-enal
CID 73158990
N,2-dimethyl-3-quinolin-8-ylprop-2-en-1-amine
CID 79340260
4-quinolin-8-ylbut-3-enal
CID 170482047
(1-amino-1-oxopropan-2-yl) (E)-3-quinolin-8-ylprop-2-enoate
CID 16608019
3-quinolin-8-ylprop-2-en-1-ol
CID 57237770
2-methyl-3-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]pyridine
CID 138722170
dimethyltin;bis(quinolin-8-ol)
CID 50910182
N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine
CID 159110850
europium;1,10-phenanthroline
CID 20606755
methanol;quinolin-8-ol
CID 161490698

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(quinolin-8-ylmethylidene)butanal?
The IUPAC name of 3-methyl-2-(quinolin-8-ylmethylidene)butanal (CID 79335081) is 3-methyl-2-(quinolin-8-ylmethylidene)butanal.
What is the SMILES notation for 3-methyl-2-(quinolin-8-ylmethylidene)butanal?
The canonical SMILES for 3-methyl-2-(quinolin-8-ylmethylidene)butanal is CC(C)C(C=O)=Cc1cccc2cccnc12.
What is the InChIKey of 3-methyl-2-(quinolin-8-ylmethylidene)butanal?
The InChIKey is AEMVRHZRXIZHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-11(2)14(10-17)9-13-6-3-5-12-7-4-8-16-15(12)13/h3-11H,1-2H3.
What are the key properties of 3-methyl-2-(quinolin-8-ylmethylidene)butanal?
3-methyl-2-(quinolin-8-ylmethylidene)butanal has a molecular weight of 225.29 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(quinolin-8-ylmethylidene)butanal is sourced from PubChem (CID 79335081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).