2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde

C11H12N2O2 — CID 82009959

IUPAC2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde
SMILESCN1Cc2ccccc2N(CC=O)C1=O
InChIInChI=1S/C11H12N2O2/c1-12-8-9-4-2-3-5-10(9)13(6-7-14)11(12)15/h2-5,7H,6,8H2,1H3
InChIKeyGEFZLGLYJVSMCH-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.26
Rot. Bonds2

About 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde

2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde (PubChem CID 82009959) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde
PubChem CID82009959
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde
SMILESCN1Cc2ccccc2N(CC=O)C1=O
InChIInChI=1S/C11H12N2O2/c1-12-8-9-4-2-3-5-10(9)13(6-7-14)11(12)15/h2-5,7H,6,8H2,1H3
InChIKeyGEFZLGLYJVSMCH-UHFFFAOYSA-N
XLogP1.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.26
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-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde?
The IUPAC name of 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde (CID 82009959) is 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde?
The canonical SMILES for 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde is CN1Cc2ccccc2N(CC=O)C1=O.
What is the InChIKey of 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde?
The InChIKey is GEFZLGLYJVSMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-12-8-9-4-2-3-5-10(9)13(6-7-14)11(12)15/h2-5,7H,6,8H2,1H3.
What are the key properties of 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde?
2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde has a molecular weight of 204.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde is sourced from PubChem (CID 82009959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).