8-methyl-2-oxo-1H-quinoline-3-carbaldehyde

C11H9NO2 — CID 788660

IUPAC8-methyl-2-oxo-1H-quinoline-3-carbaldehyde
SMILESCc1cccc2cc(C=O)c(=O)[nH]c12
InChIInChI=1S/C11H9NO2/c1-7-3-2-4-8-5-9(6-13)11(14)12-10(7)8/h2-6H,1H3,(H,12,14)
InChIKeyXCBIQEWBCTWEPZ-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.65
Rot. Bonds1

About 8-methyl-2-oxo-1H-quinoline-3-carbaldehyde

8-methyl-2-oxo-1H-quinoline-3-carbaldehyde (PubChem CID 788660) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 8-methyl-2-oxo-1H-quinoline-3-carbaldehyde.

Molecular Properties

Compound Name8-methyl-2-oxo-1H-quinoline-3-carbaldehyde
PubChem CID788660
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name8-methyl-2-oxo-1H-quinoline-3-carbaldehyde
SMILESCc1cccc2cc(C=O)c(=O)[nH]c12
InChIInChI=1S/C11H9NO2/c1-7-3-2-4-8-5-9(6-13)11(14)12-10(7)8/h2-6H,1H3,(H,12,14)
InChIKeyXCBIQEWBCTWEPZ-UHFFFAOYSA-N
XLogP1.65
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-oxo-1H-quinoline-3-carbaldehyde?
The IUPAC name of 8-methyl-2-oxo-1H-quinoline-3-carbaldehyde (CID 788660) is 8-methyl-2-oxo-1H-quinoline-3-carbaldehyde.
What is the SMILES notation for 8-methyl-2-oxo-1H-quinoline-3-carbaldehyde?
The canonical SMILES for 8-methyl-2-oxo-1H-quinoline-3-carbaldehyde is Cc1cccc2cc(C=O)c(=O)[nH]c12.
What is the InChIKey of 8-methyl-2-oxo-1H-quinoline-3-carbaldehyde?
The InChIKey is XCBIQEWBCTWEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-7-3-2-4-8-5-9(6-13)11(14)12-10(7)8/h2-6H,1H3,(H,12,14).
What are the key properties of 8-methyl-2-oxo-1H-quinoline-3-carbaldehyde?
8-methyl-2-oxo-1H-quinoline-3-carbaldehyde has a molecular weight of 187.20 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-oxo-1H-quinoline-3-carbaldehyde is sourced from PubChem (CID 788660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).