2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid

C11H10N2O4 — CID 3043467

IUPAC2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
SMILESCn1c(=O)n(CC(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C11H10N2O4/c1-12-8-5-3-2-4-7(8)10(16)13(11(12)17)6-9(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKeyBFVCBFCDCZVPGO-UHFFFAOYSA-N
MW234.21 g/mol
LogP-0.22
Rot. Bonds2

About 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid

2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid (PubChem CID 3043467) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
PubChem CID3043467
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
SMILESCn1c(=O)n(CC(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C11H10N2O4/c1-12-8-5-3-2-4-7(8)10(16)13(11(12)17)6-9(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKeyBFVCBFCDCZVPGO-UHFFFAOYSA-N
XLogP-0.22
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid?
The IUPAC name of 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid (CID 3043467) is 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid is Cn1c(=O)n(CC(=O)O)c(=O)c2ccccc21.
What is the InChIKey of 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid?
The InChIKey is BFVCBFCDCZVPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-12-8-5-3-2-4-7(8)10(16)13(11(12)17)6-9(14)15/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid?
2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid has a molecular weight of 234.21 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid is sourced from PubChem (CID 3043467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).