2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetic acid

C11H12N2O3 — CID 4916070

IUPAC2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetic acid
SMILESCN1Cc2ccccc2N(CC(=O)O)C1=O
InChIInChI=1S/C11H12N2O3/c1-12-6-8-4-2-3-5-9(8)13(11(12)16)7-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)
InChIKeyYYGSYXAQZZTYJV-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.14
Rot. Bonds2

About 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetic acid

2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetic acid (PubChem CID 4916070) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetic acid
PubChem CID4916070
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetic acid
SMILESCN1Cc2ccccc2N(CC(=O)O)C1=O
InChIInChI=1S/C11H12N2O3/c1-12-6-8-4-2-3-5-9(8)13(11(12)16)7-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)
InChIKeyYYGSYXAQZZTYJV-UHFFFAOYSA-N
XLogP1.14
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetic acid?
The IUPAC name of 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetic acid (CID 4916070) is 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetic acid is CN1Cc2ccccc2N(CC(=O)O)C1=O.
What is the InChIKey of 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetic acid?
The InChIKey is YYGSYXAQZZTYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-12-6-8-4-2-3-5-9(8)13(11(12)16)7-10(14)15/h2-5H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetic acid?
2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetic acid has a molecular weight of 220.23 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetic acid is sourced from PubChem (CID 4916070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).