2,6,7-trimethyl-4-oxo-3-pyridin-2-ylquinazoline-8-carboxylic acid

C17H15N3O3 — CID 3070518

IUPAC2,6,7-trimethyl-4-oxo-3-pyridin-2-ylquinazoline-8-carboxylic acid
SMILESCc1cc2c(=O)n(-c3ccccn3)c(C)nc2c(C(=O)O)c1C
InChIInChI=1S/C17H15N3O3/c1-9-8-12-15(14(10(9)2)17(22)23)19-11(3)20(16(12)21)13-6-4-5-7-18-13/h4-8H,1-3H3,(H,22,23)
InChIKeyRIHQNZFROJSWQK-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.40
Rot. Bonds2

About 2,6,7-trimethyl-4-oxo-3-pyridin-2-ylquinazoline-8-carboxylic acid

2,6,7-trimethyl-4-oxo-3-pyridin-2-ylquinazoline-8-carboxylic acid (PubChem CID 3070518) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2,6,7-trimethyl-4-oxo-3-pyridin-2-ylquinazoline-8-carboxylic acid.

Molecular Properties

Compound Name2,6,7-trimethyl-4-oxo-3-pyridin-2-ylquinazoline-8-carboxylic acid
PubChem CID3070518
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name2,6,7-trimethyl-4-oxo-3-pyridin-2-ylquinazoline-8-carboxylic acid
SMILESCc1cc2c(=O)n(-c3ccccn3)c(C)nc2c(C(=O)O)c1C
InChIInChI=1S/C17H15N3O3/c1-9-8-12-15(14(10(9)2)17(22)23)19-11(3)20(16(12)21)13-6-4-5-7-18-13/h4-8H,1-3H3,(H,22,23)
InChIKeyRIHQNZFROJSWQK-UHFFFAOYSA-N
XLogP2.40
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6,7-trimethyl-4-oxo-3-pyridin-2-ylquinazoline-8-carboxylic 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 2,6,7-trimethyl-4-oxo-3-pyridin-2-ylquinazoline-8-carboxylic acid?
The IUPAC name of 2,6,7-trimethyl-4-oxo-3-pyridin-2-ylquinazoline-8-carboxylic acid (CID 3070518) is 2,6,7-trimethyl-4-oxo-3-pyridin-2-ylquinazoline-8-carboxylic acid.
What is the SMILES notation for 2,6,7-trimethyl-4-oxo-3-pyridin-2-ylquinazoline-8-carboxylic acid?
The canonical SMILES for 2,6,7-trimethyl-4-oxo-3-pyridin-2-ylquinazoline-8-carboxylic acid is Cc1cc2c(=O)n(-c3ccccn3)c(C)nc2c(C(=O)O)c1C.
What is the InChIKey of 2,6,7-trimethyl-4-oxo-3-pyridin-2-ylquinazoline-8-carboxylic acid?
The InChIKey is RIHQNZFROJSWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-9-8-12-15(14(10(9)2)17(22)23)19-11(3)20(16(12)21)13-6-4-5-7-18-13/h4-8H,1-3H3,(H,22,23).
What are the key properties of 2,6,7-trimethyl-4-oxo-3-pyridin-2-ylquinazoline-8-carboxylic acid?
2,6,7-trimethyl-4-oxo-3-pyridin-2-ylquinazoline-8-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-4-oxo-3-pyridin-2-ylquinazoline-8-carboxylic acid is sourced from PubChem (CID 3070518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).