3-methyl-2-oxo-1,4-dihydroquinazoline-6-carboxylic acid

C10H10N2O3 — CID 10750772

IUPAC3-methyl-2-oxo-1,4-dihydroquinazoline-6-carboxylic acid
SMILESCN1Cc2cc(C(=O)O)ccc2NC1=O
InChIInChI=1S/C10H10N2O3/c1-12-5-7-4-6(9(13)14)2-3-8(7)11-10(12)15/h2-4H,5H2,1H3,(H,11,15)(H,13,14)
InChIKeyBMCJSNCJNFZGMR-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.36
Rot. Bonds1

About 3-methyl-2-oxo-1,4-dihydroquinazoline-6-carboxylic acid

3-methyl-2-oxo-1,4-dihydroquinazoline-6-carboxylic acid (PubChem CID 10750772) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-methyl-2-oxo-1,4-dihydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-oxo-1,4-dihydroquinazoline-6-carboxylic acid
PubChem CID10750772
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-methyl-2-oxo-1,4-dihydroquinazoline-6-carboxylic acid
SMILESCN1Cc2cc(C(=O)O)ccc2NC1=O
InChIInChI=1S/C10H10N2O3/c1-12-5-7-4-6(9(13)14)2-3-8(7)11-10(12)15/h2-4H,5H2,1H3,(H,11,15)(H,13,14)
InChIKeyBMCJSNCJNFZGMR-UHFFFAOYSA-N
XLogP1.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-1,4-dihydroquinazoline-6-carboxylic acid?
The IUPAC name of 3-methyl-2-oxo-1,4-dihydroquinazoline-6-carboxylic acid (CID 10750772) is 3-methyl-2-oxo-1,4-dihydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 3-methyl-2-oxo-1,4-dihydroquinazoline-6-carboxylic acid?
The canonical SMILES for 3-methyl-2-oxo-1,4-dihydroquinazoline-6-carboxylic acid is CN1Cc2cc(C(=O)O)ccc2NC1=O.
What is the InChIKey of 3-methyl-2-oxo-1,4-dihydroquinazoline-6-carboxylic acid?
The InChIKey is BMCJSNCJNFZGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-12-5-7-4-6(9(13)14)2-3-8(7)11-10(12)15/h2-4H,5H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 3-methyl-2-oxo-1,4-dihydroquinazoline-6-carboxylic acid?
3-methyl-2-oxo-1,4-dihydroquinazoline-6-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-1,4-dihydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 10750772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).