2-methyl-4-oxo-3H-quinoline-6-carbaldehyde

C11H9NO2 — CID 86745775

IUPAC2-methyl-4-oxo-3H-quinoline-6-carbaldehyde
SMILESCC1=Nc2ccc(C=O)cc2C(=O)C1
InChIInChI=1S/C11H9NO2/c1-7-4-11(14)9-5-8(6-13)2-3-10(9)12-7/h2-3,5-6H,4H2,1H3
InChIKeyKHYBCCVQVIYCAJ-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.18
Rot. Bonds1

About 2-methyl-4-oxo-3H-quinoline-6-carbaldehyde

2-methyl-4-oxo-3H-quinoline-6-carbaldehyde (PubChem CID 86745775) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-methyl-4-oxo-3H-quinoline-6-carbaldehyde.

Molecular Properties

Compound Name2-methyl-4-oxo-3H-quinoline-6-carbaldehyde
PubChem CID86745775
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name2-methyl-4-oxo-3H-quinoline-6-carbaldehyde
SMILESCC1=Nc2ccc(C=O)cc2C(=O)C1
InChIInChI=1S/C11H9NO2/c1-7-4-11(14)9-5-8(6-13)2-3-10(9)12-7/h2-3,5-6H,4H2,1H3
InChIKeyKHYBCCVQVIYCAJ-UHFFFAOYSA-N
XLogP2.18
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-3H-quinoline-6-carbaldehyde?
The IUPAC name of 2-methyl-4-oxo-3H-quinoline-6-carbaldehyde (CID 86745775) is 2-methyl-4-oxo-3H-quinoline-6-carbaldehyde.
What is the SMILES notation for 2-methyl-4-oxo-3H-quinoline-6-carbaldehyde?
The canonical SMILES for 2-methyl-4-oxo-3H-quinoline-6-carbaldehyde is CC1=Nc2ccc(C=O)cc2C(=O)C1.
What is the InChIKey of 2-methyl-4-oxo-3H-quinoline-6-carbaldehyde?
The InChIKey is KHYBCCVQVIYCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-7-4-11(14)9-5-8(6-13)2-3-10(9)12-7/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-methyl-4-oxo-3H-quinoline-6-carbaldehyde?
2-methyl-4-oxo-3H-quinoline-6-carbaldehyde has a molecular weight of 187.20 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-3H-quinoline-6-carbaldehyde is sourced from PubChem (CID 86745775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).