3-methyl-6-oxo-7H-quinoline-2-carbaldehyde

C11H9NO2 — CID 139986799

IUPAC3-methyl-6-oxo-7H-quinoline-2-carbaldehyde
SMILESCc1cc2c(nc1C=O)=CCC(=O)C=2
InChIInChI=1S/C11H9NO2/c1-7-4-8-5-9(14)2-3-10(8)12-11(7)6-13/h3-6H,2H2,1H3
InChIKeyPQHQBCDUCVKYRO-UHFFFAOYSA-N
MW187.20 g/mol
LogP-0.26
Rot. Bonds1

About 3-methyl-6-oxo-7H-quinoline-2-carbaldehyde

3-methyl-6-oxo-7H-quinoline-2-carbaldehyde (PubChem CID 139986799) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-methyl-6-oxo-7H-quinoline-2-carbaldehyde.

Molecular Properties

Compound Name3-methyl-6-oxo-7H-quinoline-2-carbaldehyde
PubChem CID139986799
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name3-methyl-6-oxo-7H-quinoline-2-carbaldehyde
SMILESCc1cc2c(nc1C=O)=CCC(=O)C=2
InChIInChI=1S/C11H9NO2/c1-7-4-8-5-9(14)2-3-10(8)12-11(7)6-13/h3-6H,2H2,1H3
InChIKeyPQHQBCDUCVKYRO-UHFFFAOYSA-N
XLogP-0.26
TPSA47.03 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 ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 88020659
CID 88020659
CID 134844120
CID 134844120
CID 89641705
CID 89641705
CID 143210587
CID 143210587
CID 174523984
CID 174523984
CID 174637127
CID 174637127

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-oxo-7H-quinoline-2-carbaldehyde?
The IUPAC name of 3-methyl-6-oxo-7H-quinoline-2-carbaldehyde (CID 139986799) is 3-methyl-6-oxo-7H-quinoline-2-carbaldehyde.
What is the SMILES notation for 3-methyl-6-oxo-7H-quinoline-2-carbaldehyde?
The canonical SMILES for 3-methyl-6-oxo-7H-quinoline-2-carbaldehyde is Cc1cc2c(nc1C=O)=CCC(=O)C=2.
What is the InChIKey of 3-methyl-6-oxo-7H-quinoline-2-carbaldehyde?
The InChIKey is PQHQBCDUCVKYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-7-4-8-5-9(14)2-3-10(8)12-11(7)6-13/h3-6H,2H2,1H3.
What are the key properties of 3-methyl-6-oxo-7H-quinoline-2-carbaldehyde?
3-methyl-6-oxo-7H-quinoline-2-carbaldehyde has a molecular weight of 187.20 g/mol, XLogP of -0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-oxo-7H-quinoline-2-carbaldehyde is sourced from PubChem (CID 139986799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).