2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde

C18H14N2O2 — CID 136675336

IUPAC2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde
SMILESCc1cc(C=O)c(O)c(/C=N/c2cccc3cccnc23)c1
InChIInChI=1S/C18H14N2O2/c1-12-8-14(18(22)15(9-12)11-21)10-20-16-6-2-4-13-5-3-7-19-17(13)16/h2-11,22H,1H3/b20-10+
InChIKeyHLZMPZGTASTLPK-KEBDBYFISA-N
MW290.32 g/mol
LogP3.81
Rot. Bonds3

About 2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde

2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde (PubChem CID 136675336) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde
PubChem CID136675336
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde
SMILESCc1cc(C=O)c(O)c(/C=N/c2cccc3cccnc23)c1
InChIInChI=1S/C18H14N2O2/c1-12-8-14(18(22)15(9-12)11-21)10-20-16-6-2-4-13-5-3-7-19-17(13)16/h2-11,22H,1H3/b20-10+
InChIKeyHLZMPZGTASTLPK-KEBDBYFISA-N
XLogP3.81
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde?
The IUPAC name of 2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde (CID 136675336) is 2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde is Cc1cc(C=O)c(O)c(/C=N/c2cccc3cccnc23)c1.
What is the InChIKey of 2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde?
The InChIKey is HLZMPZGTASTLPK-KEBDBYFISA-N. The full InChI is InChI=1S/C18H14N2O2/c1-12-8-14(18(22)15(9-12)11-21)10-20-16-6-2-4-13-5-3-7-19-17(13)16/h2-11,22H,1H3/b20-10+.
What are the key properties of 2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde?
2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde has a molecular weight of 290.32 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde is sourced from PubChem (CID 136675336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).