2-(2,4-dioxoquinazolin-1-yl)acetic acid

C10H8N2O4 — CID 9118367

IUPAC2-(2,4-dioxoquinazolin-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C10H8N2O4/c13-8(14)5-12-7-4-2-1-3-6(7)9(15)11-10(12)16/h1-4H,5H2,(H,13,14)(H,11,15,16)
InChIKeyMLQXNJCIGWKSPF-UHFFFAOYSA-N
MW220.18 g/mol
LogP-0.23
Rot. Bonds2

About 2-(2,4-dioxoquinazolin-1-yl)acetic acid

2-(2,4-dioxoquinazolin-1-yl)acetic acid (PubChem CID 9118367) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-(2,4-dioxoquinazolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dioxoquinazolin-1-yl)acetic acid
PubChem CID9118367
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name2-(2,4-dioxoquinazolin-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C10H8N2O4/c13-8(14)5-12-7-4-2-1-3-6(7)9(15)11-10(12)16/h1-4H,5H2,(H,13,14)(H,11,15,16)
InChIKeyMLQXNJCIGWKSPF-UHFFFAOYSA-N
XLogP-0.23
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Quinazolinedione
CID 64048
3-Hydroxy-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 220188
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
Glycosmicine
CID 11788
2,3-Dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
CID 2818760
3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione
CID 78766
3-Allyl-2-mercapto-3H-quinazolin-4-one
CID 657947
5-Fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-YL)butyl]quinazoline-2,4(1H,3H)-dione
CID 448890
1,3-Dimethyl-2,4(1H,3H)-quinazolinedione
CID 101217
2,3-Dihydro-2-methyl-4(1H)-quinazolinone
CID 14807234
3-ethylquinazoline-2,4(1H,3H)-dione
CID 747439
3-Phenylquinazoline-2,4-dione
CID 242637

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxoquinazolin-1-yl)acetic acid?
The IUPAC name of 2-(2,4-dioxoquinazolin-1-yl)acetic acid (CID 9118367) is 2-(2,4-dioxoquinazolin-1-yl)acetic acid.
What is the SMILES notation for 2-(2,4-dioxoquinazolin-1-yl)acetic acid?
The canonical SMILES for 2-(2,4-dioxoquinazolin-1-yl)acetic acid is O=C(O)Cn1c(=O)[nH]c(=O)c2ccccc21.
What is the InChIKey of 2-(2,4-dioxoquinazolin-1-yl)acetic acid?
The InChIKey is MLQXNJCIGWKSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-8(14)5-12-7-4-2-1-3-6(7)9(15)11-10(12)16/h1-4H,5H2,(H,13,14)(H,11,15,16).
What are the key properties of 2-(2,4-dioxoquinazolin-1-yl)acetic acid?
2-(2,4-dioxoquinazolin-1-yl)acetic acid has a molecular weight of 220.18 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxoquinazolin-1-yl)acetic acid is sourced from PubChem (CID 9118367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).