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

C11H9NO2 — CID 765518

IUPAC7-methyl-2-oxo-1H-quinoline-3-carbaldehyde
SMILESCc1ccc2cc(C=O)c(=O)[nH]c2c1
InChIInChI=1S/C11H9NO2/c1-7-2-3-8-5-9(6-13)11(14)12-10(8)4-7/h2-6H,1H3,(H,12,14)
InChIKeyCYCWXKDJRZUITF-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.65
Rot. Bonds1

About 7-methyl-2-oxo-1H-quinoline-3-carbaldehyde

7-methyl-2-oxo-1H-quinoline-3-carbaldehyde (PubChem CID 765518) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 7-methyl-2-oxo-1H-quinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-methyl-2-oxo-1H-quinoline-3-carbaldehyde
PubChem CID765518
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name7-methyl-2-oxo-1H-quinoline-3-carbaldehyde
SMILESCc1ccc2cc(C=O)c(=O)[nH]c2c1
InChIInChI=1S/C11H9NO2/c1-7-2-3-8-5-9(6-13)11(14)12-10(8)4-7/h2-6H,1H3,(H,12,14)
InChIKeyCYCWXKDJRZUITF-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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Related Compounds

2-Hydroxyquinoline
CID 6038
2'-Methylacetoacetanilide
CID 7154
4-Methylquinolin-2-ol
CID 69088
6-Methylquinolin-2(1H)-one
CID 12237458
N-(2,5-Dimethylphenyl)acetamide
CID 16304
6-Amino-1,3-dimethyl-1,2-dihydroquinolin-2-one
CID 83636605
N-(2-methylphenyl)prop-2-enamide
CID 3690178
2-Hydroxyquinoline-3-carbaldehyde
CID 589334
3-methylquinolin-2(1H)-one
CID 440987
3-Hydroxy-7-methylquinolin-2(1H)-one
CID 44157409
N-(2-formylphenyl)acetamide
CID 326664
Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 589276

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-oxo-1H-quinoline-3-carbaldehyde?
The IUPAC name of 7-methyl-2-oxo-1H-quinoline-3-carbaldehyde (CID 765518) is 7-methyl-2-oxo-1H-quinoline-3-carbaldehyde.
What is the SMILES notation for 7-methyl-2-oxo-1H-quinoline-3-carbaldehyde?
The canonical SMILES for 7-methyl-2-oxo-1H-quinoline-3-carbaldehyde is Cc1ccc2cc(C=O)c(=O)[nH]c2c1.
What is the InChIKey of 7-methyl-2-oxo-1H-quinoline-3-carbaldehyde?
The InChIKey is CYCWXKDJRZUITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-7-2-3-8-5-9(6-13)11(14)12-10(8)4-7/h2-6H,1H3,(H,12,14).
What are the key properties of 7-methyl-2-oxo-1H-quinoline-3-carbaldehyde?
7-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 7-methyl-2-oxo-1H-quinoline-3-carbaldehyde is sourced from PubChem (CID 765518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).