2-methoxy-6-methylquinoline-3-carbaldehyde

C12H11NO2 — CID 6484202

IUPAC2-methoxy-6-methylquinoline-3-carbaldehyde
SMILESCOc1nc2ccc(C)cc2cc1C=O
InChIInChI=1S/C12H11NO2/c1-8-3-4-11-9(5-8)6-10(7-14)12(13-11)15-2/h3-7H,1-2H3
InChIKeyQFQKYQVZTFLFSY-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.36
Rot. Bonds2

About 2-methoxy-6-methylquinoline-3-carbaldehyde

2-methoxy-6-methylquinoline-3-carbaldehyde (PubChem CID 6484202) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-methoxy-6-methylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-6-methylquinoline-3-carbaldehyde
PubChem CID6484202
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2-methoxy-6-methylquinoline-3-carbaldehyde
SMILESCOc1nc2ccc(C)cc2cc1C=O
InChIInChI=1S/C12H11NO2/c1-8-3-4-11-9(5-8)6-10(7-14)12(13-11)15-2/h3-7H,1-2H3
InChIKeyQFQKYQVZTFLFSY-UHFFFAOYSA-N
XLogP2.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.36
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-methoxy-6-methylquinoline-3-carbaldehyde?
The IUPAC name of 2-methoxy-6-methylquinoline-3-carbaldehyde (CID 6484202) is 2-methoxy-6-methylquinoline-3-carbaldehyde.
What is the SMILES notation for 2-methoxy-6-methylquinoline-3-carbaldehyde?
The canonical SMILES for 2-methoxy-6-methylquinoline-3-carbaldehyde is COc1nc2ccc(C)cc2cc1C=O.
What is the InChIKey of 2-methoxy-6-methylquinoline-3-carbaldehyde?
The InChIKey is QFQKYQVZTFLFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-3-4-11-9(5-8)6-10(7-14)12(13-11)15-2/h3-7H,1-2H3.
What are the key properties of 2-methoxy-6-methylquinoline-3-carbaldehyde?
2-methoxy-6-methylquinoline-3-carbaldehyde has a molecular weight of 201.22 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methylquinoline-3-carbaldehyde is sourced from PubChem (CID 6484202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).