2-(8-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde

C10H8N2O3 — CID 117264556

IUPAC2-(8-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde
SMILESO=CCn1cnc2c(O)cccc2c1=O
InChIInChI=1S/C10H8N2O3/c13-5-4-12-6-11-9-7(10(12)15)2-1-3-8(9)14/h1-3,5-6,14H,4H2
InChIKeyNPXXFKCHEWAHDZ-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.30
Rot. Bonds2

About 2-(8-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde

2-(8-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde (PubChem CID 117264556) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(8-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(8-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde
PubChem CID117264556
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name2-(8-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde
SMILESO=CCn1cnc2c(O)cccc2c1=O
InChIInChI=1S/C10H8N2O3/c13-5-4-12-6-11-9-7(10(12)15)2-1-3-8(9)14/h1-3,5-6,14H,4H2
InChIKeyNPXXFKCHEWAHDZ-UHFFFAOYSA-N
XLogP0.30
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-hydroxy-3-(methylaminomethyl)quinazolin-4-one
CID 117264733
3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264860
8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one
CID 59242565
2-[4-oxo-5-(trifluoromethyl)quinazolin-3-yl]acetaldehyde
CID 117263455
3-(2-fluoroethyl)-8-methylquinazolin-4-one
CID 71007475
8-bromo-3-(2-hydroxypropyl)quinazolin-4-one
CID 117264522
3-(8-chloro-4-oxoquinazolin-3-yl)propanoic acid
CID 117264856
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
8-bromo-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 90003883
4-(8-methyl-4-oxoquinazolin-3-yl)butanoate
CID 9167242
3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one
CID 7772208
8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one
CID 117264812

Frequently Asked Questions

What is the IUPAC name of 2-(8-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde?
The IUPAC name of 2-(8-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde (CID 117264556) is 2-(8-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde.
What is the SMILES notation for 2-(8-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde?
The canonical SMILES for 2-(8-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde is O=CCn1cnc2c(O)cccc2c1=O.
What is the InChIKey of 2-(8-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde?
The InChIKey is NPXXFKCHEWAHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-5-4-12-6-11-9-7(10(12)15)2-1-3-8(9)14/h1-3,5-6,14H,4H2.
What are the key properties of 2-(8-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde?
2-(8-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde has a molecular weight of 204.19 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde is sourced from PubChem (CID 117264556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).