7-methoxy-2-oxo-1H-quinoline-5-carbaldehyde

C11H9NO3 — CID 88867586

IUPAC7-methoxy-2-oxo-1H-quinoline-5-carbaldehyde
SMILESCOc1cc(C=O)c2ccc(=O)[nH]c2c1
InChIInChI=1S/C11H9NO3/c1-15-8-4-7(6-13)9-2-3-11(14)12-10(9)5-8/h2-6H,1H3,(H,12,14)
InChIKeyBJNUULLIHKBJME-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.35
Rot. Bonds2

About 7-methoxy-2-oxo-1H-quinoline-5-carbaldehyde

7-methoxy-2-oxo-1H-quinoline-5-carbaldehyde (PubChem CID 88867586) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 7-methoxy-2-oxo-1H-quinoline-5-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-2-oxo-1H-quinoline-5-carbaldehyde
PubChem CID88867586
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name7-methoxy-2-oxo-1H-quinoline-5-carbaldehyde
SMILESCOc1cc(C=O)c2ccc(=O)[nH]c2c1
InChIInChI=1S/C11H9NO3/c1-15-8-4-7(6-13)9-2-3-11(14)12-10(9)5-8/h2-6H,1H3,(H,12,14)
InChIKeyBJNUULLIHKBJME-UHFFFAOYSA-N
XLogP1.35
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.35
H-Bond Donors ≤ 51
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 7-methoxy-2-oxo-1H-quinoline-5-carbaldehyde?
The IUPAC name of 7-methoxy-2-oxo-1H-quinoline-5-carbaldehyde (CID 88867586) is 7-methoxy-2-oxo-1H-quinoline-5-carbaldehyde.
What is the SMILES notation for 7-methoxy-2-oxo-1H-quinoline-5-carbaldehyde?
The canonical SMILES for 7-methoxy-2-oxo-1H-quinoline-5-carbaldehyde is COc1cc(C=O)c2ccc(=O)[nH]c2c1.
What is the InChIKey of 7-methoxy-2-oxo-1H-quinoline-5-carbaldehyde?
The InChIKey is BJNUULLIHKBJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-15-8-4-7(6-13)9-2-3-11(14)12-10(9)5-8/h2-6H,1H3,(H,12,14).
What are the key properties of 7-methoxy-2-oxo-1H-quinoline-5-carbaldehyde?
7-methoxy-2-oxo-1H-quinoline-5-carbaldehyde has a molecular weight of 203.20 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-oxo-1H-quinoline-5-carbaldehyde is sourced from PubChem (CID 88867586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).