2-(6-methyl-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde

C11H10N2O3 — CID 117262442

IUPAC2-(6-methyl-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde
SMILESCc1ccc2[nH]c(=O)n(CC=O)c(=O)c2c1
InChIInChI=1S/C11H10N2O3/c1-7-2-3-9-8(6-7)10(15)13(4-5-14)11(16)12-9/h2-3,5-6H,4H2,1H3,(H,12,16)
InChIKeyQEHCYUWOTGQEOS-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.20
Rot. Bonds2

About 2-(6-methyl-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde

2-(6-methyl-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde (PubChem CID 117262442) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(6-methyl-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-methyl-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde
PubChem CID117262442
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-(6-methyl-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde
SMILESCc1ccc2[nH]c(=O)n(CC=O)c(=O)c2c1
InChIInChI=1S/C11H10N2O3/c1-7-2-3-9-8(6-7)10(15)13(4-5-14)11(16)12-9/h2-3,5-6H,4H2,1H3,(H,12,16)
InChIKeyQEHCYUWOTGQEOS-UHFFFAOYSA-N
XLogP0.20
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(7-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde
CID 117262789
6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one
CID 121002039
3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 22449593
3-ethyl-6-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114588843
3-benzyl-6-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 20755130
3-butyl-6-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 90345979
3-benzyl-6-methyl-2-sulfanylidene-1H-quinazolin-4-one;sulfur dioxide
CID 90764004
6-chloro-3-ethyl-1H-quinazoline-2,4-dione
CID 94075078
3-benzyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261590
3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione
CID 117262472
2,8-dimethyl-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 24764365
2,7-dimethyl-10H-acridin-9-one
CID 13293445

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde?
The IUPAC name of 2-(6-methyl-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde (CID 117262442) is 2-(6-methyl-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde.
What is the SMILES notation for 2-(6-methyl-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde?
The canonical SMILES for 2-(6-methyl-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde is Cc1ccc2[nH]c(=O)n(CC=O)c(=O)c2c1.
What is the InChIKey of 2-(6-methyl-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde?
The InChIKey is QEHCYUWOTGQEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7-2-3-9-8(6-7)10(15)13(4-5-14)11(16)12-9/h2-3,5-6H,4H2,1H3,(H,12,16).
What are the key properties of 2-(6-methyl-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde?
2-(6-methyl-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde has a molecular weight of 218.21 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde is sourced from PubChem (CID 117262442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).