2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid

C9H10N2O3 — CID 83818416

IUPAC2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid
SMILESO=C(O)C1CCc2[nH]c(=O)ncc2C1
InChIInChI=1S/C9H10N2O3/c12-8(13)5-1-2-7-6(3-5)4-10-9(14)11-7/h4-5H,1-3H2,(H,12,13)(H,10,11,14)
InChIKeyVXLYSZAUWDRUFV-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.04
Rot. Bonds1

About 2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid

2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid (PubChem CID 83818416) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid
PubChem CID83818416
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid
SMILESO=C(O)C1CCc2[nH]c(=O)ncc2C1
InChIInChI=1S/C9H10N2O3/c12-8(13)5-1-2-7-6(3-5)4-10-9(14)11-7/h4-5H,1-3H2,(H,12,13)(H,10,11,14)
InChIKeyVXLYSZAUWDRUFV-UHFFFAOYSA-N
XLogP-0.04
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid?
The IUPAC name of 2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid (CID 83818416) is 2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid.
What is the SMILES notation for 2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid?
The canonical SMILES for 2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid is O=C(O)C1CCc2[nH]c(=O)ncc2C1.
What is the InChIKey of 2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid?
The InChIKey is VXLYSZAUWDRUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-8(13)5-1-2-7-6(3-5)4-10-9(14)11-7/h4-5H,1-3H2,(H,12,13)(H,10,11,14).
What are the key properties of 2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid?
2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid is sourced from PubChem (CID 83818416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).