2-(7-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde

C10H8N2O4 — CID 117262789

IUPAC2-(7-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde
SMILESO=CCn1c(=O)[nH]c2cc(O)ccc2c1=O
InChIInChI=1S/C10H8N2O4/c13-4-3-12-9(15)7-2-1-6(14)5-8(7)11-10(12)16/h1-2,4-5,14H,3H2,(H,11,16)
InChIKeyYUNGMENBIOXDDE-UHFFFAOYSA-N
MW220.18 g/mol
LogP-0.41
Rot. Bonds2

About 2-(7-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde

2-(7-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde (PubChem CID 117262789) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-(7-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(7-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde
PubChem CID117262789
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name2-(7-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde
SMILESO=CCn1c(=O)[nH]c2cc(O)ccc2c1=O
InChIInChI=1S/C10H8N2O4/c13-4-3-12-9(15)7-2-1-6(14)5-8(7)11-10(12)16/h1-2,4-5,14H,3H2,(H,11,16)
InChIKeyYUNGMENBIOXDDE-UHFFFAOYSA-N
XLogP-0.41
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(7-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde?
The IUPAC name of 2-(7-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde (CID 117262789) is 2-(7-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde.
What is the SMILES notation for 2-(7-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde?
The canonical SMILES for 2-(7-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde is O=CCn1c(=O)[nH]c2cc(O)ccc2c1=O.
What is the InChIKey of 2-(7-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde?
The InChIKey is YUNGMENBIOXDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-4-3-12-9(15)7-2-1-6(14)5-8(7)11-10(12)16/h1-2,4-5,14H,3H2,(H,11,16).
What are the key properties of 2-(7-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde?
2-(7-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde has a molecular weight of 220.18 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde is sourced from PubChem (CID 117262789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).