4-methylquinoline-2-carbaldehyde

C11H9NO — CID 12735795

IUPAC4-methylquinoline-2-carbaldehyde
SMILESCc1cc(C=O)nc2ccccc12
InChIInChI=1S/C11H9NO/c1-8-6-9(7-13)12-11-5-3-2-4-10(8)11/h2-7H,1H3
InChIKeyQDUGTKCUWCMWDD-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.36
Rot. Bonds1

About 4-methylquinoline-2-carbaldehyde

4-methylquinoline-2-carbaldehyde (PubChem CID 12735795) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-methylquinoline-2-carbaldehyde.

Molecular Properties

Compound Name4-methylquinoline-2-carbaldehyde
PubChem CID12735795
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name4-methylquinoline-2-carbaldehyde
SMILESCc1cc(C=O)nc2ccccc12
InChIInChI=1S/C11H9NO/c1-8-6-9(7-13)12-11-5-3-2-4-10(8)11/h2-7H,1H3
InChIKeyQDUGTKCUWCMWDD-UHFFFAOYSA-N
XLogP2.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylquinoline-2-carbaldehyde?
The IUPAC name of 4-methylquinoline-2-carbaldehyde (CID 12735795) is 4-methylquinoline-2-carbaldehyde.
What is the SMILES notation for 4-methylquinoline-2-carbaldehyde?
The canonical SMILES for 4-methylquinoline-2-carbaldehyde is Cc1cc(C=O)nc2ccccc12.
What is the InChIKey of 4-methylquinoline-2-carbaldehyde?
The InChIKey is QDUGTKCUWCMWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-8-6-9(7-13)12-11-5-3-2-4-10(8)11/h2-7H,1H3.
What are the key properties of 4-methylquinoline-2-carbaldehyde?
4-methylquinoline-2-carbaldehyde has a molecular weight of 171.20 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylquinoline-2-carbaldehyde is sourced from PubChem (CID 12735795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).