2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetaldehyde

C10H12N2O2 — CID 130992694

IUPAC2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetaldehyde
SMILESO=CCn1cnc2c(c1=O)CCCC2
InChIInChI=1S/C10H12N2O2/c13-6-5-12-7-11-9-4-2-1-3-8(9)10(12)14/h6-7H,1-5H2
InChIKeyZOBZGLRXHRDPQW-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.32
Rot. Bonds2

About 2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetaldehyde

2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetaldehyde (PubChem CID 130992694) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetaldehyde
PubChem CID130992694
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetaldehyde
SMILESO=CCn1cnc2c(c1=O)CCCC2
InChIInChI=1S/C10H12N2O2/c13-6-5-12-7-11-9-4-2-1-3-8(9)10(12)14/h6-7H,1-5H2
InChIKeyZOBZGLRXHRDPQW-UHFFFAOYSA-N
XLogP0.32
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetaldehyde?
The IUPAC name of 2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetaldehyde (CID 130992694) is 2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetaldehyde.
What is the SMILES notation for 2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetaldehyde?
The canonical SMILES for 2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetaldehyde is O=CCn1cnc2c(c1=O)CCCC2.
What is the InChIKey of 2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetaldehyde?
The InChIKey is ZOBZGLRXHRDPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-6-5-12-7-11-9-4-2-1-3-8(9)10(12)14/h6-7H,1-5H2.
What are the key properties of 2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetaldehyde?
2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetaldehyde has a molecular weight of 192.22 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetaldehyde is sourced from PubChem (CID 130992694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).