2-methylquinoline-6-carbaldehyde

C11H9NO — CID 7537486

IUPAC2-methylquinoline-6-carbaldehyde
SMILESCc1ccc2cc(C=O)ccc2n1
InChIInChI=1S/C11H9NO/c1-8-2-4-10-6-9(7-13)3-5-11(10)12-8/h2-7H,1H3
InChIKeyWAPQHBBEWPVBTO-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.36
Rot. Bonds1

About 2-methylquinoline-6-carbaldehyde

2-methylquinoline-6-carbaldehyde (PubChem CID 7537486) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-methylquinoline-6-carbaldehyde.

Molecular Properties

Compound Name2-methylquinoline-6-carbaldehyde
PubChem CID7537486
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name2-methylquinoline-6-carbaldehyde
SMILESCc1ccc2cc(C=O)ccc2n1
InChIInChI=1S/C11H9NO/c1-8-2-4-10-6-9(7-13)3-5-11(10)12-8/h2-7H,1H3
InChIKeyWAPQHBBEWPVBTO-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 2-methylquinoline-6-carbaldehyde?
The IUPAC name of 2-methylquinoline-6-carbaldehyde (CID 7537486) is 2-methylquinoline-6-carbaldehyde.
What is the SMILES notation for 2-methylquinoline-6-carbaldehyde?
The canonical SMILES for 2-methylquinoline-6-carbaldehyde is Cc1ccc2cc(C=O)ccc2n1.
What is the InChIKey of 2-methylquinoline-6-carbaldehyde?
The InChIKey is WAPQHBBEWPVBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-8-2-4-10-6-9(7-13)3-5-11(10)12-8/h2-7H,1H3.
What are the key properties of 2-methylquinoline-6-carbaldehyde?
2-methylquinoline-6-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 2-methylquinoline-6-carbaldehyde is sourced from PubChem (CID 7537486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).