2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetic acid

C10H12N2O3 — CID 71563742

IUPAC2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetic acid
SMILESO=C(O)Cn1cnc2c(c1=O)CCCC2
InChIInChI=1S/C10H12N2O3/c13-9(14)5-12-6-11-8-4-2-1-3-7(8)10(12)15/h6H,1-5H2,(H,13,14)
InChIKeyDSWPWNYIRXETOC-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.21
Rot. Bonds2

About 2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetic acid

2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetic acid (PubChem CID 71563742) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetic acid
PubChem CID71563742
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetic acid
SMILESO=C(O)Cn1cnc2c(c1=O)CCCC2
InChIInChI=1S/C10H12N2O3/c13-9(14)5-12-6-11-8-4-2-1-3-7(8)10(12)15/h6H,1-5H2,(H,13,14)
InChIKeyDSWPWNYIRXETOC-UHFFFAOYSA-N
XLogP0.21
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetic acid?
The IUPAC name of 2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetic acid (CID 71563742) is 2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetic acid is O=C(O)Cn1cnc2c(c1=O)CCCC2.
What is the InChIKey of 2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetic acid?
The InChIKey is DSWPWNYIRXETOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-9(14)5-12-6-11-8-4-2-1-3-7(8)10(12)15/h6H,1-5H2,(H,13,14).
What are the key properties of 2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetic acid?
2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetic acid has a molecular weight of 208.22 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetic acid is sourced from PubChem (CID 71563742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).