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

C11H9NO2 — CID 906097

IUPAC6-methyl-2-oxo-1H-quinoline-3-carbaldehyde
SMILESCc1ccc2[nH]c(=O)c(C=O)cc2c1
InChIInChI=1S/C11H9NO2/c1-7-2-3-10-8(4-7)5-9(6-13)11(14)12-10/h2-6H,1H3,(H,12,14)
InChIKeyULNTVPBXVATJMS-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.65
Rot. Bonds1

About 6-methyl-2-oxo-1H-quinoline-3-carbaldehyde

6-methyl-2-oxo-1H-quinoline-3-carbaldehyde (PubChem CID 906097) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 6-methyl-2-oxo-1H-quinoline-3-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-oxo-1H-quinoline-3-carbaldehyde
PubChem CID906097
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name6-methyl-2-oxo-1H-quinoline-3-carbaldehyde
SMILESCc1ccc2[nH]c(=O)c(C=O)cc2c1
InChIInChI=1S/C11H9NO2/c1-7-2-3-10-8(4-7)5-9(6-13)11(14)12-10/h2-6H,1H3,(H,12,14)
InChIKeyULNTVPBXVATJMS-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'}

Analyze 6-methyl-2-oxo-1H-quinoline-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxyquinoline
CID 6038
4-Methylquinolin-2-ol
CID 69088
2'-Methylacetoacetanilide
CID 7154
N-(2,4-Dimethylphenyl)acetamide
CID 16303
N-(2,4-Dimethylphenyl)-3-oxobutanamide
CID 222464
6-Methylquinolin-2(1H)-one
CID 12237458
4,8-Dimethyl-2-hydroxyquinoline
CID 220708
p-Methylacetoacetanilide
CID 17015
4-Acetamidobenzaldehyde
CID 73942
N-(2,4-Xylyl)maleimide
CID 699498
N-(2-methylphenyl)prop-2-enamide
CID 3690178
2-Hydroxyquinoline-3-carbaldehyde
CID 589334

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1H-quinoline-3-carbaldehyde?
The IUPAC name of 6-methyl-2-oxo-1H-quinoline-3-carbaldehyde (CID 906097) is 6-methyl-2-oxo-1H-quinoline-3-carbaldehyde.
What is the SMILES notation for 6-methyl-2-oxo-1H-quinoline-3-carbaldehyde?
The canonical SMILES for 6-methyl-2-oxo-1H-quinoline-3-carbaldehyde is Cc1ccc2[nH]c(=O)c(C=O)cc2c1.
What is the InChIKey of 6-methyl-2-oxo-1H-quinoline-3-carbaldehyde?
The InChIKey is ULNTVPBXVATJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-7-2-3-10-8(4-7)5-9(6-13)11(14)12-10/h2-6H,1H3,(H,12,14).
What are the key properties of 6-methyl-2-oxo-1H-quinoline-3-carbaldehyde?
6-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 6-methyl-2-oxo-1H-quinoline-3-carbaldehyde is sourced from PubChem (CID 906097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).